2-(naphthalen-1-ylcarbonylamino)-3-sulfo-propanoic acid

Systemtic Name: 2-(naphthalen-1-ylcarbonylamino)-3-sulfo-propanoic acid Openeye Name: 2-(naphthalene-1-carbonylamino)-3-sulfo-propanoic acid CAS Name: 2-[[1-naphthalenyl(oxo)methyl]amino]-3-sulfopropanoic acid IUPAC Name: 2-(naphthalene-1-carbonylamino)-3-sulfopropanoic acid Traditional Name: 2-(1-naphthoylamino)-3-sulfo-propionic acid Formula: C14H13NO6S MolecularWeight: 323.32112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO6S/c16-13(15-12(14(17)18)8-22(19,20)21)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8H2,(H,15,16)(H,17,18)(H,19,20,21)