Compound C31H22N4O12S3

4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoylamino]-3-[(6-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid

CAS: 66217-02-5

Molecular Formula	`C31H22N4O12S3`
Molecular Weight	738.7 g/mol
LogP	3.5
Topological Polar Surface Area	295.0 A2
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	14
Rotatable Bonds	7
Exact Mass	738.0396
Heavy Atoms	50
Complexity	1590.0

Chemical Identifiers

CAS Number	66217-02-5
SMILES	`C1=CC2=C(C=C(C=C2C=C1NC(=O)NC3=CC4=CC(=C(C(=C4C=C3)O)N=NC5=CC6=C(C=C5)C=C(C=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O`
InChIKey	`HIVSSNOQZTVJKW-UHFFFAOYSA-N`

📖 Product Overview

Compound C31H22N4O12S3 (CAS: 66217-02-5) is a chemical compound with molecular formula C31H22N4O12S3 and molecular weight 738.7 g/mol. Its IUPAC systematic name is 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoylamino]-3-[(6-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid. LogP 3.5 Topological Polar Surface Area 295.0 A2 Hydrogen Bond Donors 7 Hydrogen Bond Acceptors 14 Rotatable Bonds 7 Exact Mass 738.0396 Heavy Atoms 50 Complexity 1590.0 InChI Key: HIVSSNOQZTVJKW-UHFFFAOYSA-N. SMILES: C1=CC2=C(C=C(C=C2C=C1NC(=O)NC3=CC4=CC(=C(C(=C4C=C3)O)N=NC5=CC6=C(C=C5)C=C(C=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O.

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