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

Details

Stereochemistry ACHIRAL
Molecular Formula C23H18O7S2
Molecular Weight 470.515
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((5-HYDROXY-2-((4-HYDROXYPHENYL)SULFONYL)PHENYL)METHYL)-2-NAPHTHALENESULFONIC ACID

SMILES

OC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(O)C=C2CC3=CC4=CC=CC=C4C=C3S(O)(=O)=O

InChI

InChIKey=ZFPWKZMBHSQTMV-UHFFFAOYSA-N
InChI=1S/C23H18O7S2/c24-19-5-8-21(9-6-19)31(26,27)22-10-7-20(25)13-18(22)12-17-11-15-3-1-2-4-16(15)14-23(17)32(28,29)30/h1-11,13-14,24-25H,12H2,(H,28,29,30)

HIDE SMILES / InChI

Molecular Formula C23H18O7S2
Molecular Weight 470.515
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:33:19 GMT 2023
Edited
by admin
on Sat Dec 16 12:33:19 GMT 2023
Record UNII
6OP51BTS1M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-((5-HYDROXY-2-((4-HYDROXYPHENYL)SULFONYL)PHENYL)METHYL)-2-NAPHTHALENESULFONIC ACID
Systematic Name English
2-NAPHTHALENESULFONIC ACID, 3-((5-HYDROXY-2-((4-HYDROXYPHENYL)SULFONYL)PHENYL)METHYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
110044
Created by admin on Sat Dec 16 12:33:19 GMT 2023 , Edited by admin on Sat Dec 16 12:33:19 GMT 2023
PRIMARY
FDA UNII
6OP51BTS1M
Created by admin on Sat Dec 16 12:33:19 GMT 2023 , Edited by admin on Sat Dec 16 12:33:19 GMT 2023
PRIMARY
ECHA (EC/EINECS)
269-735-4
Created by admin on Sat Dec 16 12:33:19 GMT 2023 , Edited by admin on Sat Dec 16 12:33:19 GMT 2023
PRIMARY
EPA CompTox
DTXSID4071423
Created by admin on Sat Dec 16 12:33:19 GMT 2023 , Edited by admin on Sat Dec 16 12:33:19 GMT 2023
PRIMARY
CAS
68310-82-7
Created by admin on Sat Dec 16 12:33:19 GMT 2023 , Edited by admin on Sat Dec 16 12:33:19 GMT 2023
PRIMARY