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

Systemtic Name: [2-(cyclohexylmethyl)-2,3-bis(oxidanyl)-3-oxidanylidene-propyl]-oxidanylidene-(quinolin-2-ylsulfanylmethyl)phosphanium Openeye Name: [2-(cyclohexylmethyl)-2,3-dihydroxy-3-oxo-propyl]-oxo-(2-quinolylsulfanylmethyl)phosphonium CAS Name: [2-(cyclohexylmethyl)-2,3-dihydroxy-3-oxopropyl]-oxo-[(2-quinolinylthio)methyl]phosphonium IUPAC Name: [2-(cyclohexylmethyl)-2,3-dihydroxy-3-oxopropyl]-oxo-(quinolin-2-ylsulfanylmethyl)phosphanium Traditional Name: [2-(cyclohexylmethyl)-2,3-dihydroxy-3-keto-propyl]-keto-[(2-quinolylthio)methyl]phosphonium Formula: C20H25NO4PS+ MolecularWeight: 406.455561

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C[P+](=O)CSC2=NC3=CC=CC=C3C=C2)(C(=O)O)O

Isomeric SMILES

C1CCC(CC1)CC(C[P+](=O)CSC2=NC3=CC=CC=C3C=C2)(C(=O)O)O

InChI

InChI=1S/C20H24NO4PS/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/h4-5,8-11,15,24H,1-3,6-7,12-14H2/p+1