(2Z)-2-[6-acetyloxy-7-(4,8-dimethyl-5-oxidanylidene-non-7-enyl)-7-methyl-oxepan-3-ylidene]ethanoic acid

Systemtic Name: (2Z)-2-[6-acetyloxy-7-(4,8-dimethyl-5-oxidanylidene-non-7-enyl)-7-methyl-oxepan-3-ylidene]ethanoic acid Openeye Name: (2Z)-2-[6-acetoxy-7-(4,8-dimethyl-5-oxo-non-7-enyl)-7-methyl-oxepan-3-ylidene]acetic acid CAS Name: (2Z)-2-[6-acetyloxy-7-(4,8-dimethyl-5-oxonon-7-enyl)-7-methyl-3-oxepanylidene]acetic acid IUPAC Name: (2Z)-2-[6-acetyloxy-7-(4,8-dimethyl-5-oxonon-7-enyl)-7-methyloxepan-3-ylidene]acetic acid Traditional Name: (2Z)-2-[6-acetoxy-7-(5-keto-4,8-dimethyl-non-7-enyl)-7-methyl-oxepan-3-ylidene]acetic acid Formula: C22H34O6 MolecularWeight: 394.50176

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1(C(CCC(=CC(=O)O)CO1)OC(=O)C)C)C(=O)CC=C(C)C

Isomeric SMILES

CC(CCCC1(C(CC/C(=C/C(=O)O)/CO1)OC(=O)C)C)C(=O)CC=C(C)C

InChI

InChI=1S/C22H34O6/c1-15(2)8-10-19(24)16(3)7-6-12-22(5)20(28-17(4)23)11-9-18(14-27-22)13-21(25)26/h8,13,16,20H,6-7,9-12,14H2,1-5H3,(H,25,26)/b18-13-