Consensus flow list

Calcium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate

fo-cfbf3373b0f219d2

Identity

Type
Chemical salt
CAS
5281-04-9
EC
226-109-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Calcium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate

Alternative labels

136

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PZTQVMXMKVTIRC-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/C18H14N2O6S.Ca/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);/q;+2/p-2
IUPAC name chemrof:IUPAC_name Calcium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate
Molecular formula chemrof:molecular_formula C18H12CaN2O6S
Molecular mass chemrof:molecular_mass 424.447
Monoisotopic mass chemrof:monoisotopic_mass 424.004198
SMILES string chemrof:smiles_string Cc1ccc(N=Nc2c(O)c(C(=O)[O-])cc3ccccc23)c(S(=O)(=O)[O-])c1.[Ca+2]

Known URLs

11

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=5281-04-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.023.736 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID201045895 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID30967273 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7027594 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2028348 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ECW0LZ41X8 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C71668 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/135423095 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1310564 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Lithol_Rubine_BK enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
595fc4b4-2cfb-41b3-9c6b-bf7505c8f713 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
401a6e53-4d87-4b03-967f-91c7320e4a13 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
ed1f66a2-9fc8-41d2-88b2-ddafea3a7cfb Environmental → Air → Indoor EF 3.1 kg 2
e2eb18f1-3371-4400-9fc9-eb1a3359c23c Environmental → Air → Long-term EF 3.1 kg 0
ee5bddb9-ba63-4a09-9243-58e7d3bd82e7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ff848fec-bf71-4da3-b530-32aa75049816 Environmental → Air → Unknown EF 3.1 kg 2
d79d6c8b-29a0-43aa-83e8-1f4d9de317c4 Environmental → Ground → Agricultural EF 3.1 kg 2
a574230a-8cc3-4c6d-ab0a-9bd9f0a1c33a Environmental → Ground → Non-agricultural EF 3.1 kg 2
eb2bb63e-6415-42f9-8df4-729f2dd043b6 Environmental → Ground → Unknown EF 3.1 kg 2
acbd3f73-c8d4-4f1d-bf53-f0fa98804425 Environmental → Water → Long-term EF 3.1 kg 0
34a9af74-1c6c-4221-b213-9e2895017892 Environmental → Water → Ocean EF 3.1 kg 2
bf25e70d-d76f-41ac-a72d-7829f390ab81 Environmental → Water → Surface water EF 3.1 kg 2
67c69636-5111-4f0d-8d76-7951b501c8fe Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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