hexyl 2-bis[(1-hexoxy-1-oxidanylidene-propan-2-yl)sulfanyl]phosphorylsulfanylpropanoate

Systemtic Name: hexyl 2-bis[(1-hexoxy-1-oxidanylidene-propan-2-yl)sulfanyl]phosphorylsulfanylpropanoate Openeye Name: hexyl 2-bis[(2-hexoxy-1-methyl-2-oxo-ethyl)sulfanyl]phosphorylsulfanylpropanoate CAS Name: 2-[bis[(1-hexoxy-1-oxopropan-2-yl)thio]phosphorylthio]propanoic acid hexyl ester IUPAC Name: hexyl 2-bis[(1-hexoxy-1-oxopropan-2-yl)sulfanyl]phosphorylsulfanylpropanoate Traditional Name: 2-[bis[(2-hexoxy-2-keto-1-methyl-ethyl)thio]phosphorylthio]propionic acid hexyl ester Formula: C27H51O7PS3 MolecularWeight: 614.858401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(C)SP(=O)(SC(C)C(=O)OCCCCCC)SC(C)C(=O)OCCCCCC

Isomeric SMILES

CCCCCCOC(=O)C(C)SP(=O)(SC(C)C(=O)OCCCCCC)SC(C)C(=O)OCCCCCC

InChI

InChI=1S/C27H51O7PS3/c1-7-10-13-16-19-32-25(28)22(4)36-35(31,37-23(5)26(29)33-20-17-14-11-8-2)38-24(6)27(30)34-21-18-15-12-9-3/h22-24H,7-21H2,1-6H3