4-oxidanyl-4-oxidanylidene-butanoate; 3-phenylpropyl(sulfanylidene)azanium

Systemtic Name: 4-oxidanyl-4-oxidanylidene-butanoate; 3-phenylpropyl(sulfanylidene)azanium Openeye Name: 4-hydroxy-4-oxo-butanoate; 3-phenylpropyl(thioxo)ammonium CAS Name: 4-hydroxy-4-oxobutanoate; 3-phenylpropyl(sulfanylidene)ammonium IUPAC Name: 4-hydroxy-4-oxobutanoate; 3-phenylpropyl(sulfanylidene)azanium Traditional Name: 4-hydroxy-4-keto-butyrate; 3-phenylpropyl(thioxo)ammonium Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC[NH+]=S.C(CC(=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC[NH+]=S.C(CC(=O)[O-])C(=O)O

InChI

InChI=1S/C9H11NS.C4H6O4/c11-10-8-4-7-9-5-2-1-3-6-9;5-3(6)1-2-4(7)8/h1-3,5-6H,4,7-8H2;1-2H2,(H,5,6)(H,7,8)