4-(2-hydroxyphenyl)-2-oxidanylidene-4-[(5-sulfonaphthalen-2-yl)amino]butanoic acid

Systemtic Name: 4-(2-hydroxyphenyl)-2-oxidanylidene-4-[(5-sulfonaphthalen-2-yl)amino]butanoic acid Openeye Name: 4-(2-hydroxyphenyl)-2-oxo-4-[(5-sulfo-2-naphthyl)amino]butanoic acid CAS Name: 4-(2-hydroxyphenyl)-2-oxo-4-[(5-sulfo-2-naphthalenyl)amino]butanoic acid IUPAC Name: 4-(2-hydroxyphenyl)-2-oxo-4-[(5-sulfonaphthalen-2-yl)amino]butanoic acid Traditional Name: 4-(2-hydroxyphenyl)-2-keto-4-[(5-sulfo-2-naphthyl)amino]butyric acid Formula: C20H17NO7S MolecularWeight: 415.41648

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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(=CC=C3)S(=O)(=O)O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(CC(=O)C(=O)O)NC2=CC3=C(C=C2)C(=CC=C3)S(=O)(=O)O)O

InChI

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