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

Systemtic Name: (2-carboxy-2-oxidanyl-5-phenyl-pentyl)-oxidanylidene-(quinolin-2-ylsulfanylmethyl)phosphanium Openeye Name: (2-carboxy-2-hydroxy-5-phenyl-pentyl)-oxo-(2-quinolylsulfanylmethyl)phosphonium CAS Name: (2-carboxy-2-hydroxy-5-phenylpentyl)-oxo-[(2-quinolinylthio)methyl]phosphonium IUPAC Name: (2-carboxy-2-hydroxy-5-phenylpentyl)-oxo-(quinolin-2-ylsulfanylmethyl)phosphanium Traditional Name: (2-carboxy-2-hydroxy-5-phenyl-pentyl)-keto-[(2-quinolylthio)methyl]phosphonium Formula: C22H23NO4PS+ MolecularWeight: 428.461081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22NO4PS/c24-21(25)22(26,14-6-9-17-7-2-1-3-8-17)15-28(27)16-29-20-13-12-18-10-4-5-11-19(18)23-20/h1-5,7-8,10-13,26H,6,9,14-16H2/p+1