Consensus flow list

Tetrasodium 3-[[4-[[4,6-bis-[(3-sulfonatoprop-1-yl)thio]-1,3,5-triazin-2-yl]amino]-2-methyl-5-methoxy-phenyl]azonaphthalene-1,5-disulfonate

fo-c61056471e51aa44

Identity

Type
Chemical salt
CAS
187674-70-0
EC
421-950-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Tetrasodium 3-[[4-[[4,6-bis-[(3-sulfonatoprop-1-yl)thio]-1,3,5-triazin-2-yl]amino]-2-methyl-5-methoxy-phenyl]azonaphthalene-1,5-disulfonate

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DPZAWVAAMOZRKW-UHFFFAOYSA-J, GOZVVCJRTYIZOP-UHFFFAOYSA-J
InChI2D string chemrof:inchi2d_string InChI=1S/C27H30N6O13S6.4Na/c1-16-12-21(28-25-29-26(47-8-4-10-49(34,35)36)31-27(30-25)48-9-5-11-50(37,38)39)22(46-2)15-20(16)33-32-17-13-19-18(24(14-17)52(43,44)45)6-3-7-23(19)51(40,41)42;;;;/h3,6-7,12-15H,4-5,8-11H2,1-2H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,28,29,30,31);;;;/q;4*+1/p-4
IUPAC name chemrof:IUPAC_name 1,5-Naphthalenedisulfonic acid, 3-[2-[4-[[4,6-bis[(3-sulfopropyl)thio]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]diazenyl]-, sodium salt (1:4)
Molecular formula chemrof:molecular_formula C27H26N6Na4O13S6, C27H26N6NaO13S6-3
SMILES string chemrof:smiles_string COc1cc(N=Nc2cc(S(=O)(=O)[O-])c3cccc(S(=O)(=O)[O-])c3c2)c(C)cc1Nc1nc(SCCCS(=O)(=O)[O-])nc(SCCCS(=O)(=O)[O-])n1.[Na+].[Na+].[Na+].[Na+]

Known URLs

8

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=187674-70-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.102.052 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.119.902 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90890477 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.208.449D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/44147076 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/72475732 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82870345 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0aa61143-5373-4f6b-8200-3a31c98e076c Environmental → Air → Aircraft cruise height EF 3.1 kg 4
d02685ad-a565-45ca-b0c0-904c07fd132c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
c43b507a-c9d8-4439-9ea4-4c91243146f9 Environmental → Air → Indoor EF 3.1 kg 4
c7e2b935-688a-471e-a71f-b6064dfb377e Environmental → Air → Long-term EF 3.1 kg 0
38cc226e-aa0a-4f2b-ae27-248f1661e795 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
e1efbec0-83d7-452c-b813-d820a4c8740d Environmental → Air → Unknown EF 3.1 kg 4
a7f362e9-4760-4fe1-9bdd-3f0f6e84302f Environmental → Ground → Agricultural EF 3.1 kg 4
05efd8a1-ec4f-4452-9df9-c8f4e9a0e5ee Environmental → Ground → Non-agricultural EF 3.1 kg 4
c65037ae-0939-4a06-b561-3e876adb350d Environmental → Ground → Unknown EF 3.1 kg 4
393328fb-b06b-4cec-853e-72f39712fe7c Environmental → Water → Long-term EF 3.1 kg 0
931638c5-da45-4d60-a655-e2ca524bed15 Environmental → Water → Ocean EF 3.1 kg 4
c1a0c33d-056f-47e4-974e-18dfa57fa830 Environmental → Water → Surface water EF 3.1 kg 4
c684db37-a024-4e1d-9d8e-938c806c1752 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
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      "@value": "Tetrasodium 3-[[4-[[4,6-bis-[(3-sulfonatoprop-1-yl)thio]-1,3,5-triazin-2-yl]amino]-2-methyl-5-methoxy-phenyl]azonaphthalene-1,5-disulfonate",
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