7-Sulfooxymethylbenz(a)anthracene

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H14O4S
Molecular Weight	338.377
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7-Sulfooxymethylbenz(a)anthracene

Structure Search

SMILES

OS(=O)(=O)OCC1=C2C=CC=CC2=CC3=C1C=CC4=C3C=CC=C4

InChI

InChIKey=OQBSNVMTMMNGCH-UHFFFAOYSA-N

InChI=1S/C19H14O4S/c20-24(21,22)23-12-19-16-8-4-2-6-14(16)11-18-15-7-3-1-5-13(15)9-10-17(18)19/h1-11H,12H2,(H,20,21,22)

HIDE SMILES / InChI

Molecular Formula	C19H14O4S
Molecular Weight	338.377
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:59:53 GMT 2025` Edited by `admin` on `Mon Mar 31 22:59:53 GMT 2025`
Record UNII	4LBA4NM5A2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Benz[a]anthracene-7-methanol, 7-(hydrogen sulfate)

Preferred Name

English

7-Sulfooxymethylbenz(a)anthracene

Systematic Name

English

Benz[a]anthracene-7-methanol, hydrogen sulfate

Systematic Name

English

benzo[a]anthracen-7-ylmethylhydrogensulfate

Systematic Name

English

Code System Code Type Description

CAS

87976-77-0

Created by admin on Mon Mar 31 22:59:53 GMT 2025 , Edited by admin on Mon Mar 31 22:59:53 GMT 2025

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EPA CompTox

DTXSID00236726

Created by admin on Mon Mar 31 22:59:53 GMT 2025 , Edited by admin on Mon Mar 31 22:59:53 GMT 2025

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PUBCHEM

137372

Created by admin on Mon Mar 31 22:59:53 GMT 2025 , Edited by admin on Mon Mar 31 22:59:53 GMT 2025

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FDA UNII

4LBA4NM5A2

Created by admin on Mon Mar 31 22:59:53 GMT 2025 , Edited by admin on Mon Mar 31 22:59:53 GMT 2025

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Related Record Type Details


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7-Sulfooxymethylbenz(a)anthracene sodium salt

SALT/SOLVATE -> PARENT

Amount: