2-[(3-oxidanylnaphthalen-2-yl)carbonylamino]-3-sulfo-propanoic acid

Systemtic Name: 2-[(3-oxidanylnaphthalen-2-yl)carbonylamino]-3-sulfo-propanoic acid Openeye Name: 2-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-sulfo-propanoic acid CAS Name: 2-[[(3-hydroxy-2-naphthalenyl)-oxomethyl]amino]-3-sulfopropanoic acid IUPAC Name: 2-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-sulfopropanoic acid Traditional Name: 2-[(3-hydroxy-2-naphthoyl)amino]-3-sulfo-propionic acid Formula: C14H13NO7S MolecularWeight: 339.32052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C(=CC2=C1)C(=O)NC(CS(=O)(=O)O)C(=O)O)O

Isomeric SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)NC(CS(=O)(=O)O)C(=O)O)O

InChI

InChI=1S/C14H13NO7S/c16-12-6-9-4-2-1-3-8(9)5-10(12)13(17)15-11(14(18)19)7-23(20,21)22/h1-6,11,16H,7H2,(H,15,17)(H,18,19)(H,20,21,22)