(2-carboxy-4-methyl-2-oxidanyl-pentyl)-oxidanylidene-(quinolin-2-ylsulfanylmethyl)phosphanium

Systemtic Name: (2-carboxy-4-methyl-2-oxidanyl-pentyl)-oxidanylidene-(quinolin-2-ylsulfanylmethyl)phosphanium Openeye Name: (2-carboxy-2-hydroxy-4-methyl-pentyl)-oxo-(2-quinolylsulfanylmethyl)phosphonium CAS Name: (2-carboxy-2-hydroxy-4-methylpentyl)-oxo-[(2-quinolinylthio)methyl]phosphonium IUPAC Name: (2-carboxy-2-hydroxy-4-methylpentyl)-oxo-(quinolin-2-ylsulfanylmethyl)phosphanium Traditional Name: (2-carboxy-2-hydroxy-4-methyl-pentyl)-keto-[(2-quinolylthio)methyl]phosphonium Formula: C17H21NO4PS+ MolecularWeight: 366.391701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20NO4PS/c1-12(2)9-17(21,16(19)20)10-23(22)11-24-15-8-7-13-5-3-4-6-14(13)18-15/h3-8,12,21H,9-11H2,1-2H3/p+1