(2-carboxy-2-ethoxy-5-phenyl-pentyl)-oxidanylidene-(phenylsulfanylmethyl)phosphanium

Systemtic Name: (2-carboxy-2-ethoxy-5-phenyl-pentyl)-oxidanylidene-(phenylsulfanylmethyl)phosphanium Openeye Name: (2-carboxy-2-ethoxy-5-phenyl-pentyl)-oxo-(phenylsulfanylmethyl)phosphonium CAS Name: (2-carboxy-2-ethoxy-5-phenylpentyl)-oxo-[(phenylthio)methyl]phosphonium IUPAC Name: (2-carboxy-2-ethoxy-5-phenylpentyl)-oxo-(phenylsulfanylmethyl)phosphanium Traditional Name: (2-carboxy-2-ethoxy-5-phenyl-pentyl)-keto-[(phenylthio)methyl]phosphonium Formula: C21H26O4PS+ MolecularWeight: 405.467501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25O4PS/c1-2-25-21(20(22)23,15-9-12-18-10-5-3-6-11-18)16-26(24)17-27-19-13-7-4-8-14-19/h3-8,10-11,13-14H,2,9,12,15-17H2,1H3/p+1