2-[(4-methylphenyl)carbonylamino]-3-sulfo-propanoic acid

Systemtic Name: 2-[(4-methylphenyl)carbonylamino]-3-sulfo-propanoic acid Openeye Name: 2-[(4-methylbenzoyl)amino]-3-sulfo-propanoic acid CAS Name: 2-[[(4-methylphenyl)-oxomethyl]amino]-3-sulfopropanoic acid IUPAC Name: 2-[(4-methylbenzoyl)amino]-3-sulfopropanoic acid Traditional Name: 2-(p-toluoylamino)-3-sulfo-propionic acid Formula: C11H13NO6S MolecularWeight: 287.28902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(CS(=O)(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(CS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C11H13NO6S/c1-7-2-4-8(5-3-7)10(13)12-9(11(14)15)6-19(16,17)18/h2-5,9H,6H2,1H3,(H,12,13)(H,14,15)(H,16,17,18)