Compound C29H20N6Na2O8S2

disodium;7-[(3-aminobenzoyl)amino]-4-hydroxy-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonate

CAS: 5979-31-7

Molecular Formula	`C29H20N6Na2O8S2`
Molecular Weight	690.6 g/mol
Topological Polar Surface Area	256.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	13
Rotatable Bonds	6
Exact Mass	690.0579
Heavy Atoms	47
Complexity	1260.0

Chemical Identifiers

CAS Number	5979-31-7
SMILES	`C1=CC(=CC(=C1)N)C(=O)NC2=CC3=CC(=C(C(=C3C=C2)O)N=NC4=CC=C(C=C4)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]`
InChIKey	`FXHTUQLHYNKIPD-UHFFFAOYSA-L`

📖 Product Overview

Compound C29H20N6Na2O8S2 (CAS: 5979-31-7) is a chemical compound with molecular formula C29H20N6Na2O8S2 and molecular weight 690.6 g/mol. Its IUPAC systematic name is disodium;7-[(3-aminobenzoyl)amino]-4-hydroxy-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonate. Topological Polar Surface Area 256.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 13 Rotatable Bonds 6 Exact Mass 690.0579 Heavy Atoms 47 Complexity 1260.0 InChI Key: FXHTUQLHYNKIPD-UHFFFAOYSA-L. SMILES: C1=CC(=CC(=C1)N)C(=O)NC2=CC3=CC(=C(C(=C3C=C2)O)N=NC4=CC=C(C=C4)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].

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