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Details

Stereochemistry RACEMIC
Molecular Formula C19H14O
Molecular Weight 258.3139
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Methylbenz(a)anthracene 5,6-oxide

SMILES

CC1=C2C(=CC=C1)[C@@H]3O[C@@H]3C4=CC5=CC=CC=C5C=C24

InChI

InChIKey=XVPADOCDRGQNIC-RBUKOAKNSA-N
InChI=1S/C19H14O/c1-11-5-4-8-14-17(11)15-9-12-6-2-3-7-13(12)10-16(15)19-18(14)20-19/h2-10,18-19H,1H3/t18-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H14O
Molecular Weight 258.3139
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 08:54:02 GMT 2023
Edited
by admin
on Sat Dec 16 08:54:02 GMT 2023
Record UNII
MN3W5XGY3R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Methylbenz(a)anthracene 5,6-oxide
Common Name English
Benz[3,4]anthra[1,2-b]oxirene, 1a,11b-dihydro-5-methyl-
Systematic Name English
1a,11b-Dihydro-5-methylbenz[a]anthra[5,6-b]oxirene
Systematic Name English
Benz[a]anthra[5,6-b]oxirene, 1a,11b-dihydro-5-methyl-
Systematic Name English
Code System Code Type Description
CAS
146683-80-9
Created by admin on Sat Dec 16 08:54:02 GMT 2023 , Edited by admin on Sat Dec 16 08:54:02 GMT 2023
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EPA CompTox
DTXSID60163443
Created by admin on Sat Dec 16 08:54:02 GMT 2023 , Edited by admin on Sat Dec 16 08:54:02 GMT 2023
PRIMARY
PUBCHEM
154601
Created by admin on Sat Dec 16 08:54:02 GMT 2023 , Edited by admin on Sat Dec 16 08:54:02 GMT 2023
PRIMARY
FDA UNII
MN3W5XGY3R
Created by admin on Sat Dec 16 08:54:02 GMT 2023 , Edited by admin on Sat Dec 16 08:54:02 GMT 2023
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