Compound C16H12N2O13S4

8-[(2,5-disulfophenyl)diazenyl]-7-hydroxynaphthalene-1,3-disulfonic acid

CAS: 78335-10-1

Molecular Formula	`C16H12N2O13S4`
Molecular Weight	568.5 g/mol
LogP	-0.4
Topological Polar Surface Area	296.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	15
Rotatable Bonds	6
Exact Mass	567.92224
Heavy Atoms	35
Complexity	1240.0

Chemical Identifiers

CAS Number	78335-10-1
SMILES	`C1=CC(=C(C2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)O)N=NC3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)O`
InChIKey	`AGUGNRVUWRLBKZ-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H12N2O13S4 (CAS: 78335-10-1) is a chemical compound with molecular formula C16H12N2O13S4 and molecular weight 568.5 g/mol. Its IUPAC systematic name is 8-[(2,5-disulfophenyl)diazenyl]-7-hydroxynaphthalene-1,3-disulfonic acid. LogP -0.4 Topological Polar Surface Area 296.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 15 Rotatable Bonds 6 Exact Mass 567.92224 Heavy Atoms 35 Complexity 1240.0 InChI Key: AGUGNRVUWRLBKZ-UHFFFAOYSA-N. SMILES: C1=CC(=C(C2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)O)N=NC3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)O.

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