(2-carboxy-4-methyl-2-oxidanyl-pentyl)-(naphthalen-1-ylsulfanylmethyl)-oxidanylidene-phosphanium

Systemtic Name: (2-carboxy-4-methyl-2-oxidanyl-pentyl)-(naphthalen-1-ylsulfanylmethyl)-oxidanylidene-phosphanium Openeye Name: (2-carboxy-2-hydroxy-4-methyl-pentyl)-(1-naphthylsulfanylmethyl)-oxo-phosphonium CAS Name: (2-carboxy-2-hydroxy-4-methylpentyl)-[(1-naphthalenylthio)methyl]-oxophosphonium IUPAC Name: (2-carboxy-2-hydroxy-4-methylpentyl)-(naphthalen-1-ylsulfanylmethyl)-oxophosphanium Traditional Name: (2-carboxy-2-hydroxy-4-methyl-pentyl)-keto-[(1-naphthylthio)methyl]phosphonium Formula: C18H22O4PS+ MolecularWeight: 365.403641

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C[P+](=O)CSC1=CC=CC2=CC=CC=C21)(C(=O)O)O

Isomeric SMILES

CC(C)CC(C[P+](=O)CSC1=CC=CC2=CC=CC=C21)(C(=O)O)O

InChI

InChI=1S/C18H21O4PS/c1-13(2)10-18(21,17(19)20)11-23(22)12-24-16-9-5-7-14-6-3-4-8-15(14)16/h3-9,13,21H,10-12H2,1-2H3/p+1