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

Systemtic Name: (2Z)-2-[7-(5-acetyloxy-4,8-dimethyl-non-7-enyl)-7-methyl-6-oxidanylidene-oxepan-3-ylidene]ethanoic acid Openeye Name: (2Z)-2-[7-(5-acetoxy-4,8-dimethyl-non-7-enyl)-7-methyl-6-oxo-oxepan-3-ylidene]acetic acid CAS Name: (2Z)-2-[7-(5-acetyloxy-4,8-dimethylnon-7-enyl)-7-methyl-6-oxo-3-oxepanylidene]acetic acid IUPAC Name: (2Z)-2-[7-(5-acetyloxy-4,8-dimethylnon-7-enyl)-7-methyl-6-oxooxepan-3-ylidene]acetic acid Traditional Name: (2Z)-2-[7-(5-acetoxy-4,8-dimethyl-non-7-enyl)-6-keto-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(=O)CCC(=CC(=O)O)CO1)C)C(CC=C(C)C)OC(=O)C

Isomeric SMILES

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

InChI

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