(2-carboxy-2-ethoxy-5-phenyl-pentyl)-oxidanylidene-(quinolin-2-ylsulfanylmethyl)phosphanium

Systemtic Name: (2-carboxy-2-ethoxy-5-phenyl-pentyl)-oxidanylidene-(quinolin-2-ylsulfanylmethyl)phosphanium Openeye Name: (2-carboxy-2-ethoxy-5-phenyl-pentyl)-oxo-(2-quinolylsulfanylmethyl)phosphonium CAS Name: (2-carboxy-2-ethoxy-5-phenylpentyl)-oxo-[(2-quinolinylthio)methyl]phosphonium IUPAC Name: (2-carboxy-2-ethoxy-5-phenylpentyl)-oxo-(quinolin-2-ylsulfanylmethyl)phosphanium Traditional Name: (2-carboxy-2-ethoxy-5-phenyl-pentyl)-keto-[(2-quinolylthio)methyl]phosphonium Formula: C24H27NO4PS+ MolecularWeight: 456.514241

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCCC1=CC=CC=C1)(C[P+](=O)CSC2=NC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

CCOC(CCCC1=CC=CC=C1)(C[P+](=O)CSC2=NC3=CC=CC=C3C=C2)C(=O)O

InChI

InChI=1S/C24H26NO4PS/c1-2-29-24(23(26)27,16-8-11-19-9-4-3-5-10-19)17-30(28)18-31-22-15-14-20-12-6-7-13-21(20)25-22/h3-7,9-10,12-15H,2,8,11,16-18H2,1H3/p+1