(Z)-2,3,6-trimethyl-9-[(4E)-2-methyl-3-oxidanyl-4-(2-oxidanylethylidene)oxepan-2-yl]non-3-en-5-one

Systemtic Name: (Z)-2,3,6-trimethyl-9-[(4E)-2-methyl-3-oxidanyl-4-(2-oxidanylethylidene)oxepan-2-yl]non-3-en-5-one Openeye Name: (Z)-9-[(4E)-3-hydroxy-4-(2-hydroxyethylidene)-2-methyl-oxepan-2-yl]-2,3,6-trimethyl-non-3-en-5-one CAS Name: (Z)-9-[(4E)-3-hydroxy-4-(2-hydroxyethylidene)-2-methyl-2-oxepanyl]-2,3,6-trimethyl-3-nonen-5-one IUPAC Name: (Z)-9-[(4E)-3-hydroxy-4-(2-hydroxyethylidene)-2-methyloxepan-2-yl]-2,3,6-trimethylnon-3-en-5-one Traditional Name: (Z)-9-[(4E)-3-hydroxy-4-(2-hydroxyethylidene)-2-methyl-oxepan-2-yl]-2,3,6-trimethyl-non-3-en-5-one Formula: C21H36O4 MolecularWeight: 352.50814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=CC(=O)C(C)CCCC1(C(C(=CCO)CCCO1)O)C)C

Isomeric SMILES

CC(C)/C(=C\C(=O)C(C)CCCC1(C(/C(=C/CO)/CCCO1)O)C)/C

InChI

InChI=1S/C21H36O4/c1-15(2)17(4)14-19(23)16(3)8-6-11-21(5)20(24)18(10-12-22)9-7-13-25-21/h10,14-16,20,22,24H,6-9,11-13H2,1-5H3/b17-14-,18-10+