2,3,6-trimethyl-9-[(6Z)-2-methyl-3-oxidanyl-6-(2-oxidanylethylidene)oxepan-2-yl]non-2-en-5-one

Systemtic Name: 2,3,6-trimethyl-9-[(6Z)-2-methyl-3-oxidanyl-6-(2-oxidanylethylidene)oxepan-2-yl]non-2-en-5-one Openeye Name: 9-[(6Z)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-oxepan-2-yl]-2,3,6-trimethyl-non-2-en-5-one CAS Name: 9-[(6Z)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-2-oxepanyl]-2,3,6-trimethyl-2-nonen-5-one IUPAC Name: 9-[(6Z)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyloxepan-2-yl]-2,3,6-trimethylnon-2-en-5-one Traditional Name: 9-[(6Z)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-oxepan-2-yl]-2,3,6-trimethyl-non-2-en-5-one Formula: C21H36O4 MolecularWeight: 352.50814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36O4/c1-15(2)17(4)13-19(23)16(3)7-6-11-21(5)20(24)9-8-18(10-12-22)14-25-21/h10,16,20,22,24H,6-9,11-14H2,1-5H3/b18-10-