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Details

Stereochemistry MIXED
Molecular Formula C20H16O6S
Molecular Weight 384.402
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7,8,9,10-TETRAHYDRO-7,8,10-TRIHYDROXYBENZO(A)PYRENE-9-SULFONIC ACID

SMILES

OC1C(O)C2=C(C(O)C1S(O)(=O)=O)C3=C4C(C=CC5=C4C(C=C3)=CC=C5)=C2

InChI

InChIKey=HUKBLXWCSKZXPO-UHFFFAOYSA-N
InChI=1S/C20H16O6S/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)18(22)20(19(17)23)27(24,25)26/h1-8,17-23H,(H,24,25,26)

HIDE SMILES / InChI

Molecular Formula C20H16O6S
Molecular Weight 384.402
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:43:33 GMT 2023
Edited
by admin
on Sat Dec 16 11:43:33 GMT 2023
Record UNII
8ROS60102O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7,8,9,10-TETRAHYDRO-7,8,10-TRIHYDROXYBENZO(A)PYRENE-9-SULFONIC ACID
Systematic Name English
BENZO(A)PYRENE-9-SULFONIC ACID, 7,8,9,10-TETRAHYDRO-7,8,10-TRIHYDROXY-
Systematic Name English
Code System Code Type Description
FDA UNII
8ROS60102O
Created by admin on Sat Dec 16 11:43:33 GMT 2023 , Edited by admin on Sat Dec 16 11:43:33 GMT 2023
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EPA CompTox
DTXSID40922691
Created by admin on Sat Dec 16 11:43:33 GMT 2023 , Edited by admin on Sat Dec 16 11:43:33 GMT 2023
PRIMARY
CAS
118499-61-9
Created by admin on Sat Dec 16 11:43:33 GMT 2023 , Edited by admin on Sat Dec 16 11:43:33 GMT 2023
PRIMARY
PUBCHEM
147251
Created by admin on Sat Dec 16 11:43:33 GMT 2023 , Edited by admin on Sat Dec 16 11:43:33 GMT 2023
PRIMARY