ethyl 2-diethoxyphosphoryl-4-methyl-3-(2-oxidanylidene-1-phenyl-decyl)sulfanyl-pentanoate

Systemtic Name: ethyl 2-diethoxyphosphoryl-4-methyl-3-(2-oxidanylidene-1-phenyl-decyl)sulfanyl-pentanoate Openeye Name: ethyl 2-diethoxyphosphoryl-4-methyl-3-(2-oxo-1-phenyl-decyl)sulfanyl-pentanoate CAS Name: 2-diethoxyphosphoryl-4-methyl-3-[(2-oxo-1-phenyldecyl)thio]pentanoic acid ethyl ester IUPAC Name: ethyl 2-diethoxyphosphoryl-4-methyl-3-(2-oxo-1-phenyldecyl)sulfanylpentanoate Traditional Name: 2-diethoxyphosphoryl-3-[(2-keto-1-phenyl-decyl)thio]-4-methyl-valeric acid ethyl ester Formula: C28H47O6PS MolecularWeight: 542.707941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)C(C1=CC=CC=C1)SC(C(C)C)C(C(=O)OCC)P(=O)(OCC)OCC

Isomeric SMILES

CCCCCCCCC(=O)C(C1=CC=CC=C1)SC(C(C)C)C(C(=O)OCC)P(=O)(OCC)OCC

InChI

InChI=1S/C28H47O6PS/c1-7-11-12-13-14-18-21-24(29)27(23-19-16-15-17-20-23)36-26(22(5)6)25(28(30)32-8-2)35(31,33-9-3)34-10-4/h15-17,19-20,22,25-27H,7-14,18,21H2,1-6H3