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

Systemtic Name: (2-carboxy-2-ethoxy-4-phenyl-butyl)-oxidanylidene-(quinolin-2-ylsulfanylmethyl)phosphanium Openeye Name: (2-carboxy-2-ethoxy-4-phenyl-butyl)-oxo-(2-quinolylsulfanylmethyl)phosphonium CAS Name: (2-carboxy-2-ethoxy-4-phenylbutyl)-oxo-[(2-quinolinylthio)methyl]phosphonium IUPAC Name: (2-carboxy-2-ethoxy-4-phenylbutyl)-oxo-(quinolin-2-ylsulfanylmethyl)phosphanium Traditional Name: (2-carboxy-2-ethoxy-4-phenyl-butyl)-keto-[(2-quinolylthio)methyl]phosphonium Formula: C23H25NO4PS+ MolecularWeight: 442.487661

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCC1=CC=CC=C1)(C[P+](=O)CSC2=NC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

CCOC(CCC1=CC=CC=C1)(C[P+](=O)CSC2=NC3=CC=CC=C3C=C2)C(=O)O

InChI

InChI=1S/C23H24NO4PS/c1-2-28-23(22(25)26,15-14-18-8-4-3-5-9-18)16-29(27)17-30-21-13-12-19-10-6-7-11-20(19)24-21/h3-13H,2,14-17H2,1H3/p+1