methyl 7-[4-[(Z)-3-methyl-1-phenylsulfanyl-oct-2-enyl]-2-oxidanylidene-oxolan-3-yl]heptanoate

Systemtic Name: methyl 7-[4-[(Z)-3-methyl-1-phenylsulfanyl-oct-2-enyl]-2-oxidanylidene-oxolan-3-yl]heptanoate Openeye Name: methyl 7-[4-[(Z)-3-methyl-1-phenylsulfanyl-oct-2-enyl]-2-oxo-tetrahydrofuran-3-yl]heptanoate CAS Name: 7-[4-[(Z)-3-methyl-1-(phenylthio)oct-2-enyl]-2-oxo-3-oxolanyl]heptanoic acid methyl ester IUPAC Name: methyl 7-[4-[(Z)-3-methyl-1-phenylsulfanyloct-2-enyl]-2-oxooxolan-3-yl]heptanoate Traditional Name: 7-[2-keto-4-[(Z)-3-methyl-1-(phenylthio)oct-2-enyl]tetrahydrofuran-3-yl]enanthic acid methyl ester Formula: C27H40O4S MolecularWeight: 460.6691

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC(C1COC(=O)C1CCCCCCC(=O)OC)SC2=CC=CC=C2)C

Isomeric SMILES

CCCCC/C(=C\C(C1COC(=O)C1CCCCCCC(=O)OC)SC2=CC=CC=C2)/C

InChI

InChI=1S/C27H40O4S/c1-4-5-9-14-21(2)19-25(32-22-15-10-8-11-16-22)24-20-31-27(29)23(24)17-12-6-7-13-18-26(28)30-3/h8,10-11,15-16,19,23-25H,4-7,9,12-14,17-18,20H2,1-3H3/b21-19-