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Details

Stereochemistry RACEMIC
Molecular Formula C20H16O3
Molecular Weight 304.3392
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7,8,9,10-TETRAHYDRO BENZO(A)PYRENE-7,8,9-TRIOL, (7.ALPHA.,8.BETA.,9.BETA.)-

SMILES

O[C@H]1CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2[C@H](O)[C@H]1O

InChI

InChIKey=GFANZDFKCCJYRF-VDGAXYAQSA-N
InChI=1S/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H16O3
Molecular Weight 304.3392
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:01:18 GMT 2023
Edited
by admin
on Sat Dec 16 10:01:18 GMT 2023
Record UNII
756KTM5WWE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7,8,9,10-TETRAHYDRO BENZO(A)PYRENE-7,8,9-TRIOL, (7.ALPHA.,8.BETA.,9.BETA.)-
Common Name English
7,8,9,10-TETRAHYDRO-7ALPHA,8BETA,9BETA-TRIHYDROXY-BENZO(A)PYRENE
Common Name English
BENZO(A)PYRENE-7,8,9-TRIOL, 7,8,9,10-TETRAHYDRO-, (7R,8R,9R)-REL-
Systematic Name English
BENZO(A)PYRENE-7,8,9-TRIOL, 7,8,9,10-TETRAHYDRO-, (7.ALPHA.,8.BETA.,9.BETA.)-(±)-
Systematic Name English
Code System Code Type Description
CAS
61176-59-8
Created by admin on Sat Dec 16 10:01:18 GMT 2023 , Edited by admin on Sat Dec 16 10:01:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID00210066
Created by admin on Sat Dec 16 10:01:18 GMT 2023 , Edited by admin on Sat Dec 16 10:01:18 GMT 2023
PRIMARY
FDA UNII
756KTM5WWE
Created by admin on Sat Dec 16 10:01:18 GMT 2023 , Edited by admin on Sat Dec 16 10:01:18 GMT 2023
PRIMARY
PUBCHEM
43560
Created by admin on Sat Dec 16 10:01:18 GMT 2023 , Edited by admin on Sat Dec 16 10:01:18 GMT 2023
PRIMARY