sodium 6-azanyl-5-[[3-[(2-ethylphenyl)sulfamoyl]-4-methyl-phenyl]diazenyl]naphthalene-2-sulfonate

Systemtic Name: sodium 6-azanyl-5-[[3-[(2-ethylphenyl)sulfamoyl]-4-methyl-phenyl]diazenyl]naphthalene-2-sulfonate Openeye Name: sodium 6-amino-5-[3-[(2-ethylphenyl)sulfamoyl]-4-methyl-phenyl]azo-naphthalene-2-sulfonate CAS Name: sodium 6-amino-5-[3-[(2-ethylphenyl)sulfamoyl]-4-methylphenyl]azo-2-naphthalenesulfonate IUPAC Name: sodium 6-amino-5-[[3-[(2-ethylphenyl)sulfamoyl]-4-methylphenyl]diazenyl]naphthalene-2-sulfonate Traditional Name: sodium 6-amino-5-[3-[(2-ethylphenyl)sulfamoyl]-4-methyl-phenyl]azo-naphthalene-2-sulfonate Formula: C25H23N4NaO5S2 MolecularWeight: 546.59369

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)N=NC3=C(C=CC4=C3C=CC(=C4)S(=O)(=O)[O-])N)C.[Na+]

Isomeric SMILES

CCC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)N=NC3=C(C=CC4=C3C=CC(=C4)S(=O)(=O)[O-])N)C.[Na+]

InChI

InChI=1S/C25H24N4O5S2.Na/c1-3-17-6-4-5-7-23(17)29-35(30,31)24-15-19(10-8-16(24)2)27-28-25-21-12-11-20(36(32,33)34)14-18(21)9-13-22(25)26;/h4-15,29H,3,26H2,1-2H3,(H,32,33,34);/q;+1/p-1