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

Systemtic Name: (2Z)-2-[7-(4,8-dimethyl-5-oxidanyl-non-7-enyl)-7-methyl-6-oxidanylidene-oxepan-3-ylidene]ethanoic acid Openeye Name: (2Z)-2-[7-(5-hydroxy-4,8-dimethyl-non-7-enyl)-7-methyl-6-oxo-oxepan-3-ylidene]acetic acid CAS Name: (2Z)-2-[7-(5-hydroxy-4,8-dimethylnon-7-enyl)-7-methyl-6-oxo-3-oxepanylidene]acetic acid IUPAC Name: (2Z)-2-[7-(5-hydroxy-4,8-dimethylnon-7-enyl)-7-methyl-6-oxooxepan-3-ylidene]acetic acid Traditional Name: (2Z)-2-[7-(5-hydroxy-4,8-dimethyl-non-7-enyl)-6-keto-7-methyl-oxepan-3-ylidene]acetic acid Formula: C20H32O5 MolecularWeight: 352.46508

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H32O5/c1-14(2)7-9-17(21)15(3)6-5-11-20(4)18(22)10-8-16(13-25-20)12-19(23)24/h7,12,15,17,21H,5-6,8-11,13H2,1-4H3,(H,23,24)/b16-12-