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

Systemtic Name: [2-(cyclohexylmethyl)-2-ethoxy-3-oxidanyl-3-oxidanylidene-propyl]-oxidanylidene-(quinolin-2-ylsulfanylmethyl)phosphanium Openeye Name: [2-(cyclohexylmethyl)-2-ethoxy-3-hydroxy-3-oxo-propyl]-oxo-(2-quinolylsulfanylmethyl)phosphonium CAS Name: [2-(cyclohexylmethyl)-2-ethoxy-3-hydroxy-3-oxopropyl]-oxo-[(2-quinolinylthio)methyl]phosphonium IUPAC Name: [2-(cyclohexylmethyl)-2-ethoxy-3-hydroxy-3-oxopropyl]-oxo-(quinolin-2-ylsulfanylmethyl)phosphanium Traditional Name: [2-(cyclohexylmethyl)-2-ethoxy-3-hydroxy-3-keto-propyl]-keto-[(2-quinolylthio)methyl]phosphonium Formula: C22H29NO4PS+ MolecularWeight: 434.508721

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1CCCCC1)(C[P+](=O)CSC2=NC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

CCOC(CC1CCCCC1)(C[P+](=O)CSC2=NC3=CC=CC=C3C=C2)C(=O)O

InChI

InChI=1S/C22H28NO4PS/c1-2-27-22(21(24)25,14-17-8-4-3-5-9-17)15-28(26)16-29-20-13-12-18-10-6-7-11-19(18)23-20/h6-7,10-13,17H,2-5,8-9,14-16H2,1H3/p+1