(2-carboxy-4-methyl-2-oxidanyl-pentyl)-oxidanylidene-(phenylsulfanylmethyl)phosphanium

Systemtic Name: (2-carboxy-4-methyl-2-oxidanyl-pentyl)-oxidanylidene-(phenylsulfanylmethyl)phosphanium Openeye Name: (2-carboxy-2-hydroxy-4-methyl-pentyl)-oxo-(phenylsulfanylmethyl)phosphonium CAS Name: (2-carboxy-2-hydroxy-4-methylpentyl)-oxo-[(phenylthio)methyl]phosphonium IUPAC Name: (2-carboxy-2-hydroxy-4-methylpentyl)-oxo-(phenylsulfanylmethyl)phosphanium Traditional Name: (2-carboxy-2-hydroxy-4-methyl-pentyl)-keto-[(phenylthio)methyl]phosphonium Formula: C14H20O4PS+ MolecularWeight: 315.344961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C[P+](=O)CSC1=CC=CC=C1)(C(=O)O)O

Isomeric SMILES

CC(C)CC(C[P+](=O)CSC1=CC=CC=C1)(C(=O)O)O

InChI

InChI=1S/C14H19O4PS/c1-11(2)8-14(17,13(15)16)9-19(18)10-20-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3/p+1