dioctan-2-yl 2-[(3-octan-2-yloxy-2-octan-2-yloxycarbonyl-3-oxidanylidene-propyl)sulfanylmethyl]propanedioate

Systemtic Name: dioctan-2-yl 2-[(3-octan-2-yloxy-2-octan-2-yloxycarbonyl-3-oxidanylidene-propyl)sulfanylmethyl]propanedioate Openeye Name: bis(1-methylheptyl) 2-[[3-(1-methylheptoxy)-2-(1-methylheptoxycarbonyl)-3-oxo-propyl]sulfanylmethyl]propanedioate CAS Name: 2-[[[3-octan-2-yloxy-2-[octan-2-yloxy(oxo)methyl]-3-oxopropyl]thio]methyl]propanedioic acid dioctan-2-yl ester IUPAC Name: dioctan-2-yl 2-[(3-octan-2-yloxy-2-octan-2-yloxycarbonyl-3-oxopropyl)sulfanylmethyl]propanedioate Traditional Name: 2-[[[3-keto-3-(1-methylheptoxy)-2-(1-methylheptoxycarbonyl)propyl]thio]methyl]malonic acid bis(1-methylheptyl) ester Formula: C40H74O8S MolecularWeight: 715.07576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C(CSCC(C(=O)OC(C)CCCCCC)C(=O)OC(C)CCCCCC)C(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCC(C)OC(=O)C(CSCC(C(=O)OC(C)CCCCCC)C(=O)OC(C)CCCCCC)C(=O)OC(C)CCCCCC

InChI

InChI=1S/C40H74O8S/c1-9-13-17-21-25-31(5)45-37(41)35(38(42)46-32(6)26-22-18-14-10-2)29-49-30-36(39(43)47-33(7)27-23-19-15-11-3)40(44)48-34(8)28-24-20-16-12-4/h31-36H,9-30H2,1-8H3