methyl (7S)-7-[(1S,2S)-2-[(E)-hept-1-enyl]-5-oxidanylidene-cyclopent-3-en-1-yl]-7-methylsulfonyloxy-heptanoate

Systemtic Name: methyl (7S)-7-[(1S,2S)-2-[(E)-hept-1-enyl]-5-oxidanylidene-cyclopent-3-en-1-yl]-7-methylsulfonyloxy-heptanoate Openeye Name: methyl (7S)-7-[(1S,2S)-2-[(E)-hept-1-enyl]-5-oxo-cyclopent-3-en-1-yl]-7-methylsulfonyloxy-heptanoate CAS Name: (7S)-7-[(1S,2S)-2-[(E)-hept-1-enyl]-5-oxo-1-cyclopent-3-enyl]-7-methylsulfonyloxyheptanoic acid methyl ester IUPAC Name: methyl (7S)-7-[(1S,2S)-2-[(E)-hept-1-enyl]-5-oxocyclopent-3-en-1-yl]-7-methylsulfonyloxyheptanoate Traditional Name: (7S)-7-[(1S,2S)-2-[(E)-hept-1-enyl]-5-keto-cyclopent-3-en-1-yl]-7-methylsulfonyloxy-enanthic acid methyl ester Formula: C21H34O6S MolecularWeight: 414.55606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC1C=CC(=O)C1C(CCCCCC(=O)OC)OS(=O)(=O)C

Isomeric SMILES

CCCCC/C=C/[C@H]1C=CC(=O)[C@@H]1[C@H](CCCCCC(=O)OC)OS(=O)(=O)C

InChI

InChI=1S/C21H34O6S/c1-4-5-6-7-9-12-17-15-16-18(22)21(17)19(27-28(3,24)25)13-10-8-11-14-20(23)26-2/h9,12,15-17,19,21H,4-8,10-11,13-14H2,1-3H3/b12-9+/t17-,19-,21+/m0/s1