(2-carboxy-1-oxidanyl-pentyl)-oxidanylidene-(quinolin-2-ylsulfanylmethyl)phosphanium

Systemtic Name: (2-carboxy-1-oxidanyl-pentyl)-oxidanylidene-(quinolin-2-ylsulfanylmethyl)phosphanium Openeye Name: (2-carboxy-1-hydroxy-pentyl)-oxo-(2-quinolylsulfanylmethyl)phosphonium CAS Name: (2-carboxy-1-hydroxypentyl)-oxo-[(2-quinolinylthio)methyl]phosphonium IUPAC Name: (2-carboxy-1-hydroxypentyl)-oxo-(quinolin-2-ylsulfanylmethyl)phosphanium Traditional Name: (2-carboxy-1-hydroxy-pentyl)-keto-[(2-quinolylthio)methyl]phosphonium Formula: C16H19NO4PS+ MolecularWeight: 352.365121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(O)[P+](=O)CSC1=NC2=CC=CC=C2C=C1)C(=O)O

Isomeric SMILES

CCCC(C(O)[P+](=O)CSC1=NC2=CC=CC=C2C=C1)C(=O)O

InChI

InChI=1S/C16H18NO4PS/c1-2-5-12(15(18)19)16(20)22(21)10-23-14-9-8-11-6-3-4-7-13(11)17-14/h3-4,6-9,12,16,20H,2,5,10H2,1H3/p+1