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

Systemtic Name: (2Z)-2-[6-acetyloxy-7-(4,8-dimethyl-5-oxidanylidene-non-7-enyl)oxepan-3-ylidene]ethanoic acid Openeye Name: (2Z)-2-[6-acetoxy-7-(4,8-dimethyl-5-oxo-non-7-enyl)oxepan-3-ylidene]acetic acid CAS Name: (2Z)-2-[6-acetyloxy-7-(4,8-dimethyl-5-oxonon-7-enyl)-3-oxepanylidene]acetic acid IUPAC Name: (2Z)-2-[6-acetyloxy-7-(4,8-dimethyl-5-oxonon-7-enyl)oxepan-3-ylidene]acetic acid Traditional Name: (2Z)-2-[6-acetoxy-7-(5-keto-4,8-dimethyl-non-7-enyl)oxepan-3-ylidene]acetic acid Formula: C21H32O6 MolecularWeight: 380.47518

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1C(CCC(=CC(=O)O)CO1)OC(=O)C)C(=O)CC=C(C)C

Isomeric SMILES

CC(CCCC1C(CC/C(=C/C(=O)O)/CO1)OC(=O)C)C(=O)CC=C(C)C

InChI

InChI=1S/C21H32O6/c1-14(2)8-10-18(23)15(3)6-5-7-19-20(27-16(4)22)11-9-17(13-26-19)12-21(24)25/h8,12,15,19-20H,5-7,9-11,13H2,1-4H3,(H,24,25)/b17-12-