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

Details

Stereochemistry RACEMIC
Molecular Formula C18H14O
Molecular Weight 246.3032
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-EPOXY-1,2,3,4-TETRAHYDROBENZ(A)ANTHRACENE

SMILES

C1CC2=C(C=CC3=CC4=CC=CC=C4C=C23)[C@H]5O[C@@H]15

InChI

InChIKey=GUFITYJDZKTZBJ-ZWKOTPCHSA-N
InChI=1S/C18H14O/c1-2-4-12-10-16-13(9-11(12)3-1)5-6-15-14(16)7-8-17-18(15)19-17/h1-6,9-10,17-18H,7-8H2/t17-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H14O
Molecular Weight 246.3032
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 11:34:52 GMT 2023
Edited
by admin
on Sat Dec 16 11:34:52 GMT 2023
Record UNII
2PVM4E061X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-EPOXY-1,2,3,4-TETRAHYDROBENZ(A)ANTHRACENE
Systematic Name English
BENZ(A)ANTHRA(3,4-B)OXIRENE, 1A,2,3,11B-TETRAHYDRO-
Systematic Name English
Code System Code Type Description
CAS
64521-17-1
Created by admin on Sat Dec 16 11:34:52 GMT 2023 , Edited by admin on Sat Dec 16 11:34:52 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
150247
Created by admin on Sat Dec 16 11:34:52 GMT 2023 , Edited by admin on Sat Dec 16 11:34:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID10983153
Created by admin on Sat Dec 16 11:34:52 GMT 2023 , Edited by admin on Sat Dec 16 11:34:52 GMT 2023
PRIMARY
FDA UNII
2PVM4E061X
Created by admin on Sat Dec 16 11:34:52 GMT 2023 , Edited by admin on Sat Dec 16 11:34:52 GMT 2023
PRIMARY