Sulfonic Acids, C10-c21-alkane, Ph-esters

Property	Value
InChI2D key string chemrof:inchi2d_key_string	UDKSLGIUCGAZTK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C21H36O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-25(22,23)24-21-18-15-14-16-19-21/h14-16,18-19H,2-13,17,20H2,1H3
IUPAC name chemrof:IUPAC_name	1-pentadecanesulfonic acid, pentadecane-1-sulfonic acid phenyl ester, phenyl pentadecane-1-sulfonate
Molecular formula chemrof:molecular_formula	C21H36O3S
Molecular mass chemrof:molecular_mass	368.583
Monoisotopic mass chemrof:monoisotopic_mass	368.238516
SMILES string chemrof:smiles_string	CCCCCCCCCCCCCCCS(=O)(=O)OC1=CC=CC=C1

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=91082-17-6	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.085.174	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID00274002	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188793	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Q4FQ4SJ6CW	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J71.624C	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/20478723	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q81977412	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
a4492034-91da-4407-b6a7-a937e1c510b2	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
4ac74b25-9c13-470e-bc6e-ed2e9dac367a	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
01b68c01-c347-453f-af77-90f2d54e2a93	Environmental → Air → Indoor	EF 3.1	kg	2
2ee48651-d32e-4fbd-a4e9-f4b1615069aa	Environmental → Air → Long-term	EF 3.1	kg	0
f547c0ac-fd54-42c6-836a-e01aa1d04bff	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
f798e431-1c28-4c58-a0c5-9dfaedec0a29	Environmental → Air → Unknown	EF 3.1	kg	2
91b0146f-f12a-4ca4-bb37-ee6a88eddc38	Environmental → Ground → Agricultural	EF 3.1	kg	2
20eee544-791c-41d3-bfdb-d01678ef7d67	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
e366fd66-f46e-4185-86de-67e59950fc9e	Environmental → Ground → Unknown	EF 3.1	kg	2
5e40d74d-d837-4b00-a300-c2ee5dca9227	Environmental → Water → Long-term	EF 3.1	kg	0
5c33b33d-2a8f-45d5-a0f4-0b4a94e46057	Environmental → Water → Ocean	EF 3.1	kg	2
c54e86d0-cd98-4b69-950a-31715fb83904	Environmental → Water → Surface water	EF 3.1	kg	2
506207bf-c40b-40f8-8066-da8ce000a454	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (52 changes)

Open the changes page

Flow object JSON

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Sulfonic Acids, C10-c21-alkane, Ph-esters

Identity

Structure

Properties

Known URLs

Elementary flows

History

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