ethyl 2-diethoxyphosphoryl-4-methyl-3-(2-oxidanyl-1,2-diphenyl-ethyl)sulfanyl-pentanoate

Systemtic Name: ethyl 2-diethoxyphosphoryl-4-methyl-3-(2-oxidanyl-1,2-diphenyl-ethyl)sulfanyl-pentanoate Openeye Name: ethyl 2-diethoxyphosphoryl-3-(2-hydroxy-1,2-diphenyl-ethyl)sulfanyl-4-methyl-pentanoate CAS Name: 2-diethoxyphosphoryl-3-[(2-hydroxy-1,2-diphenylethyl)thio]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 2-diethoxyphosphoryl-3-(2-hydroxy-1,2-diphenylethyl)sulfanyl-4-methylpentanoate Traditional Name: 2-diethoxyphosphoryl-3-[(2-hydroxy-1,2-diphenyl-ethyl)thio]-4-methyl-valeric acid ethyl ester Formula: C26H37O6PS MolecularWeight: 508.607141

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C(C)C)SC(C1=CC=CC=C1)C(C2=CC=CC=C2)O)P(=O)(OCC)OCC

Isomeric SMILES

CCOC(=O)C(C(C(C)C)SC(C1=CC=CC=C1)C(C2=CC=CC=C2)O)P(=O)(OCC)OCC

InChI

InChI=1S/C26H37O6PS/c1-6-30-26(28)23(33(29,31-7-2)32-8-3)24(19(4)5)34-25(21-17-13-10-14-18-21)22(27)20-15-11-9-12-16-20/h9-19,22-25,27H,6-8H2,1-5H3