[(E)-2-oxidanylidenedec-6-en-4-yl] 3-[3-[3-methoxy-4-(phenylmethylsulfanyl)butanoyl]oxybutanoyloxy]heptanoate

Systemtic Name: [(E)-2-oxidanylidenedec-6-en-4-yl] 3-[3-[3-methoxy-4-(phenylmethylsulfanyl)butanoyl]oxybutanoyloxy]heptanoate Openeye Name: [(E)-1-acetonylhept-3-enyl] 3-[3-(4-benzylsulfanyl-3-methoxy-butanoyl)oxybutanoyloxy]heptanoate CAS Name: 3-[3-[3-methoxy-1-oxo-4-(phenylmethylthio)butoxy]-1-oxobutoxy]heptanoic acid [(E)-2-oxodec-6-en-4-yl] ester IUPAC Name: [(E)-2-oxodec-6-en-4-yl] 3-[3-(4-benzylsulfanyl-3-methoxybutanoyl)oxybutanoyloxy]heptanoate Traditional Name: 3-[3-[4-(benzylthio)-3-methoxy-butanoyl]oxybutanoyloxy]enanthic acid [(E)-1-acetonylhept-3-enyl] ester Formula: C33H50O8S MolecularWeight: 606.8103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(=O)OC(CC=CCCC)CC(=O)C)OC(=O)CC(C)OC(=O)CC(CSCC1=CC=CC=C1)OC

Isomeric SMILES

CCCCC(CC(=O)OC(C/C=C/CCC)CC(=O)C)OC(=O)CC(C)OC(=O)CC(CSCC1=CC=CC=C1)OC

InChI

InChI=1S/C33H50O8S/c1-6-8-10-14-18-28(19-25(3)34)40-33(37)21-29(17-9-7-2)41-31(35)20-26(4)39-32(36)22-30(38-5)24-42-23-27-15-12-11-13-16-27/h10-16,26,28-30H,6-9,17-24H2,1-5H3/b14-10+