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Details

Stereochemistry ACHIRAL
Molecular Formula C19H12O3S
Molecular Weight 320.362
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-((7-OXO-7H-BENZ(DE)ANTHRACEN-3-YL)THIO)ACETIC ACID

SMILES

OC(=O)CSC1=CC=C2C3=CC=CC=C3C(=O)C4=C2C1=CC=C4

InChI

InChIKey=QQRGUQLAJOQLIW-UHFFFAOYSA-N
InChI=1S/C19H12O3S/c20-17(21)10-23-16-9-8-12-11-4-1-2-5-13(11)19(22)15-7-3-6-14(16)18(12)15/h1-9H,10H2,(H,20,21)

HIDE SMILES / InChI

Approval Year

Name Type Language
2-((7-OXO-7H-BENZ(DE)ANTHRACEN-3-YL)THIO)ACETIC ACID
Systematic Name English
NSC-81276
Preferred Name English
ACETIC ACID, ((7-OXO-7H-BENZ(DE)ANTHRACEN-3-YL)THIO)-
Systematic Name English
ACETIC ACID, 2-((7-OXO-7H-BENZ(DE)ANTHRACEN-3-YL)THIO)-
Systematic Name English
CARBOXYMETHYLBENZANTHRONE, 3-
Systematic Name English
7-MESO-BENZANTHRENONE, 3-(CARBOXYMETHYLMERCAPTO)-
Systematic Name English
Code System Code Type Description
NSC
81276
Created by admin on Mon Mar 31 18:50:01 GMT 2025 , Edited by admin on Mon Mar 31 18:50:01 GMT 2025
PRIMARY
CAS
69658-13-5
Created by admin on Mon Mar 31 18:50:01 GMT 2025 , Edited by admin on Mon Mar 31 18:50:01 GMT 2025
PRIMARY
EPA CompTox
DTXSID90219947
Created by admin on Mon Mar 31 18:50:01 GMT 2025 , Edited by admin on Mon Mar 31 18:50:01 GMT 2025
PRIMARY
PUBCHEM
50603
Created by admin on Mon Mar 31 18:50:01 GMT 2025 , Edited by admin on Mon Mar 31 18:50:01 GMT 2025
PRIMARY
FDA UNII
Z3B1NW33UX
Created by admin on Mon Mar 31 18:50:01 GMT 2025 , Edited by admin on Mon Mar 31 18:50:01 GMT 2025
PRIMARY