3-(2-hydroxyethylamino)-4-oxidanylidene-4-[(8-oxidanyl-6-sulfo-naphthalen-2-yl)amino]butanoic acid

Systemtic Name: 3-(2-hydroxyethylamino)-4-oxidanylidene-4-[(8-oxidanyl-6-sulfo-naphthalen-2-yl)amino]butanoic acid Openeye Name: 3-(2-hydroxyethylamino)-4-[(8-hydroxy-6-sulfo-2-naphthyl)amino]-4-oxo-butanoic acid CAS Name: 3-(2-hydroxyethylamino)-4-[(8-hydroxy-6-sulfo-2-naphthalenyl)amino]-4-oxobutanoic acid IUPAC Name: 3-(2-hydroxyethylamino)-4-[(8-hydroxy-6-sulfonaphthalen-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-(2-hydroxyethylamino)-4-[(8-hydroxy-6-sulfo-2-naphthyl)amino]-4-keto-butyric acid Formula: C16H18N2O8S MolecularWeight: 398.38772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)O)NC(=O)C(CC(=O)O)NCCO

Isomeric SMILES

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)O)NC(=O)C(CC(=O)O)NCCO

InChI

InChI=1S/C16H18N2O8S/c19-4-3-17-13(8-15(21)22)16(23)18-10-2-1-9-5-11(27(24,25)26)7-14(20)12(9)6-10/h1-2,5-7,13,17,19-20H,3-4,8H2,(H,18,23)(H,21,22)(H,24,25,26)