2,6-dimethyl-9-[(2S,3R,6E)-2-methyl-3-oxidanyl-6-(2-oxidanylethylidene)oxepan-2-yl]non-2-en-5-one

Systemtic Name: 2,6-dimethyl-9-[(2S,3R,6E)-2-methyl-3-oxidanyl-6-(2-oxidanylethylidene)oxepan-2-yl]non-2-en-5-one Openeye Name: 9-[(2S,3R,6E)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-oxepan-2-yl]-2,6-dimethyl-non-2-en-5-one CAS Name: 9-[(2S,3R,6E)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-2-oxepanyl]-2,6-dimethyl-2-nonen-5-one IUPAC Name: 9-[(2S,3R,6E)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyloxepan-2-yl]-2,6-dimethylnon-2-en-5-one Traditional Name: 9-[(2S,3R,6E)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-oxepan-2-yl]-2,6-dimethyl-non-2-en-5-one Formula: C20H34O4 MolecularWeight: 338.48156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(CCC[C@]1([C@@H](CC/C(=C\CO)/CO1)O)C)C(=O)CC=C(C)C

InChI

InChI=1S/C20H34O4/c1-15(2)7-9-18(22)16(3)6-5-12-20(4)19(23)10-8-17(11-13-21)14-24-20/h7,11,16,19,21,23H,5-6,8-10,12-14H2,1-4H3/b17-11+/t16?,19-,20+/m1/s1