[2-(2-carboxypyrrolidin-1-yl)-2-oxidanylidene-ethyl]-bis(oxidanyl)-(2-oxidanylsulfanyl-7-phenyl-heptan-2-yl)phosphanium

Systemtic Name: [2-(2-carboxypyrrolidin-1-yl)-2-oxidanylidene-ethyl]-bis(oxidanyl)-(2-oxidanylsulfanyl-7-phenyl-heptan-2-yl)phosphanium Openeye Name: [2-(2-carboxypyrrolidin-1-yl)-2-oxo-ethyl]-dihydroxy-(1-hydroxysulfanyl-1-methyl-6-phenyl-hexyl)phosphonium CAS Name: [2-(2-carboxy-1-pyrrolidinyl)-2-oxoethyl]-dihydroxy-[2-(hydroxythio)-7-phenylheptan-2-yl]phosphonium IUPAC Name: [2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]-dihydroxy-(2-hydroxysulfanyl-7-phenylheptan-2-yl)phosphanium Traditional Name: [2-(2-carboxypyrrolidino)-2-keto-ethyl]-dihydroxy-(1-methyl-6-phenyl-1-sulfeno-hexyl)phosphonium Formula: C20H31NO6PS+ MolecularWeight: 444.502001

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCC1=CC=CC=C1)([P+](CC(=O)N2CCCC2C(=O)O)(O)O)SO

Isomeric SMILES

CC(CCCCCC1=CC=CC=C1)([P+](CC(=O)N2CCCC2C(=O)O)(O)O)SO

InChI

InChI=1S/C20H30NO6PS/c1-20(29-27,13-7-3-6-11-16-9-4-2-5-10-16)28(25,26)15-18(22)21-14-8-12-17(21)19(23)24/h2,4-5,9-10,17,25-26H,3,6-8,11-15H2,1H3,(H-,23,24,27)/p+1