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

Systemtic Name: (2-carboxy-2-ethoxy-5-phenyl-pentyl)-(naphthalen-2-ylsulfanylmethyl)-oxidanylidene-phosphanium Openeye Name: (2-carboxy-2-ethoxy-5-phenyl-pentyl)-(2-naphthylsulfanylmethyl)-oxo-phosphonium CAS Name: (2-carboxy-2-ethoxy-5-phenylpentyl)-[(2-naphthalenylthio)methyl]-oxophosphonium IUPAC Name: (2-carboxy-2-ethoxy-5-phenylpentyl)-(naphthalen-2-ylsulfanylmethyl)-oxophosphanium Traditional Name: (2-carboxy-2-ethoxy-5-phenyl-pentyl)-keto-[(2-naphthylthio)methyl]phosphonium Formula: C25H28O4PS+ MolecularWeight: 455.526181

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCCC1=CC=CC=C1)(C[P+](=O)CSC2=CC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

CCOC(CCCC1=CC=CC=C1)(C[P+](=O)CSC2=CC3=CC=CC=C3C=C2)C(=O)O

InChI

InChI=1S/C25H27O4PS/c1-2-29-25(24(26)27,16-8-11-20-9-4-3-5-10-20)18-30(28)19-31-23-15-14-21-12-6-7-13-22(21)17-23/h3-7,9-10,12-15,17H,2,8,11,16,18-19H2,1H3/p+1