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

Systemtic Name: methyl 7-[2-oxidanylidene-4-[(E)-1-(phenylsulfinyl)oct-2-enyl]oxolan-3-yl]heptanoate Openeye Name: methyl 7-[4-[(E)-1-(benzenesulfinyl)oct-2-enyl]-2-oxo-tetrahydrofuran-3-yl]heptanoate CAS Name: 7-[4-[(E)-1-(benzenesulfinyl)oct-2-enyl]-2-oxo-3-oxolanyl]heptanoic acid methyl ester IUPAC Name: methyl 7-[4-[(E)-1-(benzenesulfinyl)oct-2-enyl]-2-oxooxolan-3-yl]heptanoate Traditional Name: 7-[4-[(E)-1-(benzenesulfinyl)oct-2-enyl]-2-keto-tetrahydrofuran-3-yl]enanthic acid methyl ester Formula: C26H38O5S MolecularWeight: 462.64192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC(C1COC(=O)C1CCCCCCC(=O)OC)S(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C26H38O5S/c1-3-4-5-6-13-18-24(32(29)21-15-10-9-11-16-21)23-20-31-26(28)22(23)17-12-7-8-14-19-25(27)30-2/h9-11,13,15-16,18,22-24H,3-8,12,14,17,19-20H2,1-2H3/b18-13+