U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C20H16O
Molecular Weight 272.3404
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-Hydroxymethyl-12-methylbenz[a]anthracene

SMILES

CC1=C2C=CC=CC2=C(CO)C3=C1C4=C(C=CC=C4)C=C3

InChI

InChIKey=JCBBZYDVQJQMMB-UHFFFAOYSA-N
InChI=1S/C20H16O/c1-13-15-7-4-5-9-17(15)19(12-21)18-11-10-14-6-2-3-8-16(14)20(13)18/h2-11,21H,12H2,1H3

HIDE SMILES / InChI

Molecular Formula C20H16O
Molecular Weight 272.3404
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 Fri Dec 15 17:24:25 GMT 2023
Edited
by admin
on Fri Dec 15 17:24:25 GMT 2023
Record UNII
L6MWC2VTY9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-Hydroxymethyl-12-methylbenz[a]anthracene
Systematic Name English
7-(Hydroxymethyl)-12-methylbenz[a]anthracene
Systematic Name English
12-Methylbenz[a]anthracene-7-methanol
Systematic Name English
Hydroxymethyl-12-methylbenz-[a]-anthracene, 7-
Systematic Name English
Benz[a]anthracene-7-methanol, 12-methyl-
Systematic Name English
Code System Code Type Description
FDA UNII
L6MWC2VTY9
Created by admin on Fri Dec 15 17:24:25 GMT 2023 , Edited by admin on Fri Dec 15 17:24:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID20205353
Created by admin on Fri Dec 15 17:24:25 GMT 2023 , Edited by admin on Fri Dec 15 17:24:25 GMT 2023
PRIMARY
PUBCHEM
11285
Created by admin on Fri Dec 15 17:24:25 GMT 2023 , Edited by admin on Fri Dec 15 17:24:25 GMT 2023
PRIMARY
CAS
568-75-2
Created by admin on Fri Dec 15 17:24:25 GMT 2023 , Edited by admin on Fri Dec 15 17:24:25 GMT 2023
PRIMARY