[2,3-bis(oxidanyl)-3-oxidanylidene-2-(phenylmethyl)propyl]-oxidanylidene-(quinolin-2-ylsulfanylmethyl)phosphanium

Systemtic Name: [2,3-bis(oxidanyl)-3-oxidanylidene-2-(phenylmethyl)propyl]-oxidanylidene-(quinolin-2-ylsulfanylmethyl)phosphanium Openeye Name: (2-benzyl-2,3-dihydroxy-3-oxo-propyl)-oxo-(2-quinolylsulfanylmethyl)phosphonium CAS Name: [2,3-dihydroxy-3-oxo-2-(phenylmethyl)propyl]-oxo-[(2-quinolinylthio)methyl]phosphonium IUPAC Name: (2-benzyl-2,3-dihydroxy-3-oxopropyl)-oxo-(quinolin-2-ylsulfanylmethyl)phosphanium Traditional Name: (2-benzyl-2,3-dihydroxy-3-keto-propyl)-keto-[(2-quinolylthio)methyl]phosphonium Formula: C20H19NO4PS+ MolecularWeight: 400.407921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18NO4PS/c22-19(23)20(24,12-15-6-2-1-3-7-15)13-26(25)14-27-18-11-10-16-8-4-5-9-17(16)21-18/h1-11,24H,12-14H2/p+1