sodium 4-[(4-azanyl-3-methyl-naphthalen-1-yl)diazenyl]benzenesulfonate tetrahydrate

Systemtic Name: sodium 4-[(4-azanyl-3-methyl-naphthalen-1-yl)diazenyl]benzenesulfonate tetrahydrate Openeye Name: sodium 4-[(4-amino-3-methyl-1-naphthyl)azo]benzenesulfonate tetrahydrate CAS Name: sodium 4-[(4-amino-3-methyl-1-naphthalenyl)azo]benzenesulfonate tetrahydrate IUPAC Name: sodium 4-[(4-amino-3-methylnaphthalen-1-yl)diazenyl]benzenesulfonate tetrahydrate Traditional Name: sodium 4-[(4-amino-3-methyl-1-naphthyl)azo]besylate tetrahydrate Formula: C17H22N3NaO7S MolecularWeight: 435.42725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C(=C1)N=NC3=CC=C(C=C3)S(=O)(=O)[O-])N.O.O.O.O.[Na+]

Isomeric SMILES

CC1=C(C2=CC=CC=C2C(=C1)N=NC3=CC=C(C=C3)S(=O)(=O)[O-])N.O.O.O.O.[Na+]

InChI

InChI=1S/C17H15N3O3S.Na.4H2O/c1-11-10-16(14-4-2-3-5-15(14)17(11)18)20-19-12-6-8-13(9-7-12)24(21,22)23;;;;;/h2-10H,18H2,1H3,(H,21,22,23);;4*1H2/q;+1;;;;/p-1