methyl 7-[(1R,2S)-2-[(E)-4-methyl-4-oxidanyl-oct-1-enyl]-5-oxidanylidene-cyclopent-3-en-1-yl]heptanoate

Systemtic Name: methyl 7-[(1R,2S)-2-[(E)-4-methyl-4-oxidanyl-oct-1-enyl]-5-oxidanylidene-cyclopent-3-en-1-yl]heptanoate Openeye Name: methyl 7-[(1R,2S)-2-[(E)-4-hydroxy-4-methyl-oct-1-enyl]-5-oxo-cyclopent-3-en-1-yl]heptanoate CAS Name: 7-[(1R,2S)-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxo-1-cyclopent-3-enyl]heptanoic acid methyl ester IUPAC Name: methyl 7-[(1R,2S)-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanoate Traditional Name: 7-[(1R,2S)-2-[(E)-4-hydroxy-4-methyl-oct-1-enyl]-5-keto-cyclopent-3-en-1-yl]enanthic acid methyl ester Formula: C22H36O4 MolecularWeight: 364.51884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CC=CC1C=CC(=O)C1CCCCCCC(=O)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C22H36O4/c1-4-5-16-22(2,25)17-10-11-18-14-15-20(23)19(18)12-8-6-7-9-13-21(24)26-3/h10-11,14-15,18-19,25H,4-9,12-13,16-17H2,1-3H3/b11-10+/t18-,19+,22?/m0/s1