Compound C34H28N6O14S4

4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5,7-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid

CAS: 6968-33-8

Molecular Formula	`C34H28N6O14S4`
Molecular Weight	872.9 g/mol
LogP	4.4
Topological Polar Surface Area	393.0 A2
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	20
Rotatable Bonds	9
Exact Mass	872.0546
Heavy Atoms	58
Complexity	1840.0

Chemical Identifiers

CAS Number	6968-33-8
SMILES	`CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)O)S(=O)(=O)O)O)C)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)O)S(=O)(=O)O)O`
InChIKey	`COXVTLYNGOIATD-UHFFFAOYSA-N`

📖 Product Overview

Compound C34H28N6O14S4 (CAS: 6968-33-8) is a chemical compound with molecular formula C34H28N6O14S4 and molecular weight 872.9 g/mol. Its IUPAC systematic name is 4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5,7-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid. LogP 4.4 Topological Polar Surface Area 393.0 A2 Hydrogen Bond Donors 8 Hydrogen Bond Acceptors 20 Rotatable Bonds 9 Exact Mass 872.0546 Heavy Atoms 58 Complexity 1840.0 InChI Key: COXVTLYNGOIATD-UHFFFAOYSA-N. SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)O)S(=O)(=O)O)O)C)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)O)S(=O)(=O)O)O.

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