4-[(2-methyl-3-oxidanyl-3-oxidanylidene-propyl)amino]-4-oxidanylidene-3-phenyl-butane-1-sulfinate

Systemtic Name: 4-[(2-methyl-3-oxidanyl-3-oxidanylidene-propyl)amino]-4-oxidanylidene-3-phenyl-butane-1-sulfinate Openeye Name: 4-[(3-hydroxy-2-methyl-3-oxo-propyl)amino]-4-oxo-3-phenyl-butane-1-sulfinate CAS Name: 4-[(3-hydroxy-2-methyl-3-oxopropyl)amino]-4-oxo-3-phenyl-1-butanesulfinate IUPAC Name: 4-[(3-hydroxy-2-methyl-3-oxopropyl)amino]-4-oxo-3-phenylbutane-1-sulfinate Traditional Name: 4-[(3-hydroxy-3-keto-2-methyl-propyl)amino]-4-keto-3-phenyl-butane-1-sulfinate Formula: C14H18NO5S- MolecularWeight: 312.36142

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C(CCS(=O)[O-])C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(CNC(=O)C(CCS(=O)[O-])C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H19NO5S/c1-10(14(17)18)9-15-13(16)12(7-8-21(19)20)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,15,16)(H,17,18)(H,19,20)/p-1