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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

SMILES

OS(=O)(=O)OCC1=C2C=CC3=CC=CC=C3C2=CC4=CC=CC=C14

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 Sat Dec 16 10:03:28 GMT 2023
Edited
by admin
on Sat Dec 16 10:03:28 GMT 2023
Record UNII
4LBA4NM5A2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-Sulfooxymethylbenz(a)anthracene
Systematic Name English
Benz[a]anthracene-7-methanol, 7-(hydrogen sulfate)
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 Sat Dec 16 10:03:28 GMT 2023 , Edited by admin on Sat Dec 16 10:03:28 GMT 2023
PRIMARY
PUBCHEM
137372
Created by admin on Sat Dec 16 10:03:28 GMT 2023 , Edited by admin on Sat Dec 16 10:03:28 GMT 2023
PRIMARY
FDA UNII
4LBA4NM5A2
Created by admin on Sat Dec 16 10:03:28 GMT 2023 , Edited by admin on Sat Dec 16 10:03:28 GMT 2023
PRIMARY