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

Systemtic Name: (2-carboxy-1-ethoxy-pentyl)-oxidanylidene-(quinolin-2-ylsulfanylmethyl)phosphanium Openeye Name: (2-carboxy-1-ethoxy-pentyl)-oxo-(2-quinolylsulfanylmethyl)phosphonium CAS Name: (2-carboxy-1-ethoxypentyl)-oxo-[(2-quinolinylthio)methyl]phosphonium IUPAC Name: (2-carboxy-1-ethoxypentyl)-oxo-(quinolin-2-ylsulfanylmethyl)phosphanium Traditional Name: (2-carboxy-1-ethoxy-pentyl)-keto-[(2-quinolylthio)methyl]phosphonium Formula: C18H23NO4PS+ MolecularWeight: 380.418281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22NO4PS/c1-3-7-14(17(20)21)18(23-4-2)24(22)12-25-16-11-10-13-8-5-6-9-15(13)19-16/h5-6,8-11,14,18H,3-4,7,12H2,1-2H3/p+1