sodium 4-(2-hydroxyphenyl)-2-oxidanylidene-4-[(6-sulfonaphthalen-2-yl)amino]butanoate

Systemtic Name: sodium 4-(2-hydroxyphenyl)-2-oxidanylidene-4-[(6-sulfonaphthalen-2-yl)amino]butanoate Openeye Name: sodium 4-(2-hydroxyphenyl)-2-oxo-4-[(6-sulfo-2-naphthyl)amino]butanoate CAS Name: sodium 4-(2-hydroxyphenyl)-2-oxo-4-[(6-sulfo-2-naphthalenyl)amino]butanoate IUPAC Name: sodium 4-(2-hydroxyphenyl)-2-oxo-4-[(6-sulfonaphthalen-2-yl)amino]butanoate Traditional Name: sodium 4-(2-hydroxyphenyl)-2-keto-4-[(6-sulfo-2-naphthyl)amino]butyrate Formula: C20H16NNaO7S MolecularWeight: 437.39831

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(CC(=O)C(=O)[O-])NC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)O)O.[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C(CC(=O)C(=O)[O-])NC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)O)O.[Na+]

InChI

InChI=1S/C20H17NO7S.Na/c22-18-4-2-1-3-16(18)17(11-19(23)20(24)25)21-14-7-5-13-10-15(29(26,27)28)8-6-12(13)9-14;/h1-10,17,21-22H,11H2,(H,24,25)(H,26,27,28);/q;+1/p-1