(2,4-dimethyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)-oxidanylidene-(quinolin-2-ylsulfanylmethyl)phosphanium

Systemtic Name: (2,4-dimethyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)-oxidanylidene-(quinolin-2-ylsulfanylmethyl)phosphanium Openeye Name: (1-carboxy-1,3-dimethyl-butyl)-oxo-(2-quinolylsulfanylmethyl)phosphonium CAS Name: (1-hydroxy-2,4-dimethyl-1-oxopentan-2-yl)-oxo-[(2-quinolinylthio)methyl]phosphonium IUPAC Name: (1-hydroxy-2,4-dimethyl-1-oxopentan-2-yl)-oxo-(quinolin-2-ylsulfanylmethyl)phosphanium Traditional Name: (1-carboxy-1,3-dimethyl-butyl)-keto-[(2-quinolylthio)methyl]phosphonium Formula: C17H21NO3PS+ MolecularWeight: 350.392301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)(C(=O)O)[P+](=O)CSC1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CC(C)CC(C)(C(=O)O)[P+](=O)CSC1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C17H20NO3PS/c1-12(2)10-17(3,16(19)20)22(21)11-23-15-9-8-13-6-4-5-7-14(13)18-15/h4-9,12H,10-11H2,1-3H3/p+1