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Details

Stereochemistry RACEMIC
Molecular Formula C20H16O
Molecular Weight 272.3404
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7,12-DIMETHYLBENZ(A)ANTHRACENE 5,6-OXIDE

SMILES

CC1=C2[C@H]3O[C@H]3C4=CC=CC=C4C2=C(C)C5=CC=CC=C15

InChI

InChIKey=HVGNLIKFFBYBQM-VQTJNVASSA-N
InChI=1S/C20H16O/c1-11-13-7-3-4-8-14(13)12(2)18-17(11)15-9-5-6-10-16(15)19-20(18)21-19/h3-10,19-20H,1-2H3/t19-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H16O
Molecular Weight 272.3404
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:43:00 GMT 2023
Edited
by admin
on Sat Dec 16 08:43:00 GMT 2023
Record UNII
285J8GSL0Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7,12-DIMETHYLBENZ(A)ANTHRACENE 5,6-OXIDE
Common Name English
7,12-DIMETHYLBENZ(A)ANTHRACENE K-REGION EPOXIDE
Systematic Name English
BENZ(A)ANTHRA(5,6-B)OXIRENE, 1A,11B-DIHYDRO-6,11-DIMETHYL-
Systematic Name English
5,6-EPOXY-5,6-DIHYDRO-7,12-DIMETHYLBENZ(A)ANTHRACENE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00960397
Created by admin on Sat Dec 16 08:43:00 GMT 2023 , Edited by admin on Sat Dec 16 08:43:00 GMT 2023
PRIMARY
CAS
39834-38-3
Created by admin on Sat Dec 16 08:43:00 GMT 2023 , Edited by admin on Sat Dec 16 08:43:00 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
285J8GSL0Z
Created by admin on Sat Dec 16 08:43:00 GMT 2023 , Edited by admin on Sat Dec 16 08:43:00 GMT 2023
PRIMARY
PUBCHEM
12560658
Created by admin on Sat Dec 16 08:43:00 GMT 2023 , Edited by admin on Sat Dec 16 08:43:00 GMT 2023
PRIMARY