Compound C32H19ClN8Na4O14S4

tetrasodium;5-benzamido-3-[[5-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate

CAS: 17681-50-4

Molecular Formula	`C32H19ClN8Na4O14S4`
Molecular Weight	995.2 g/mol
Topological Polar Surface Area	399.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	21
Rotatable Bonds	8
Exact Mass	993.9183
Heavy Atoms	63
Complexity	1900.0

Chemical Identifiers

CAS Number	17681-50-4
SMILES	`C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=C3O)N=NC4=C(C=CC(=C4)NC5=NC(=NC(=N5)NC6=CC=C(C=C6)S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]`
InChIKey	`NUZJNUDPZLPKAR-UHFFFAOYSA-J`

📖 Product Overview

Compound C32H19ClN8Na4O14S4 (CAS: 17681-50-4) is a chemical compound with molecular formula C32H19ClN8Na4O14S4 and molecular weight 995.2 g/mol. Its IUPAC systematic name is tetrasodium;5-benzamido-3-[[5-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate. Topological Polar Surface Area 399.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 21 Rotatable Bonds 8 Exact Mass 993.9183 Heavy Atoms 63 Complexity 1900.0 InChI Key: NUZJNUDPZLPKAR-UHFFFAOYSA-J. SMILES: C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=C3O)N=NC4=C(C=CC(=C4)NC5=NC(=NC(=N5)NC6=CC=C(C=C6)S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].

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