(2-carboxy-2-oxidanyl-4-phenyl-butyl)-oxidanylidene-(quinolin-2-ylsulfanylmethyl)phosphanium

Systemtic Name: (2-carboxy-2-oxidanyl-4-phenyl-butyl)-oxidanylidene-(quinolin-2-ylsulfanylmethyl)phosphanium Openeye Name: (2-carboxy-2-hydroxy-4-phenyl-butyl)-oxo-(2-quinolylsulfanylmethyl)phosphonium CAS Name: (2-carboxy-2-hydroxy-4-phenylbutyl)-oxo-[(2-quinolinylthio)methyl]phosphonium IUPAC Name: (2-carboxy-2-hydroxy-4-phenylbutyl)-oxo-(quinolin-2-ylsulfanylmethyl)phosphanium Traditional Name: (2-carboxy-2-hydroxy-4-phenyl-butyl)-keto-[(2-quinolylthio)methyl]phosphonium Formula: C21H21NO4PS+ MolecularWeight: 414.434501

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C[P+](=O)CSC2=NC3=CC=CC=C3C=C2)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(C[P+](=O)CSC2=NC3=CC=CC=C3C=C2)(C(=O)O)O

InChI

InChI=1S/C21H20NO4PS/c23-20(24)21(25,13-12-16-6-2-1-3-7-16)14-27(26)15-28-19-11-10-17-8-4-5-9-18(17)22-19/h1-11,25H,12-15H2/p+1