[4-(3-methylbutanoyl)-2,6,6-tris(3-methylbut-2-enyl)-3-oxidanyl-5-oxidanylidene-cyclohexa-1,3-dien-1-yl] ethanoate

Systemtic Name: [4-(3-methylbutanoyl)-2,6,6-tris(3-methylbut-2-enyl)-3-oxidanyl-5-oxidanylidene-cyclohexa-1,3-dien-1-yl] ethanoate Openeye Name: [3-hydroxy-4-(3-methylbutanoyl)-2,6,6-tris(3-methylbut-2-enyl)-5-oxo-cyclohexa-1,3-dien-1-yl] acetate CAS Name: acetic acid [3-hydroxy-2,6,6-tris(3-methylbut-2-enyl)-4-(3-methyl-1-oxobutyl)-5-oxo-1-cyclohexa-1,3-dienyl] ester IUPAC Name: [3-hydroxy-4-(3-methylbutanoyl)-2,6,6-tris(3-methylbut-2-enyl)-5-oxocyclohexa-1,3-dien-1-yl] acetate Traditional Name: acetic acid [3-hydroxy-4-isovaleryl-5-keto-2,6,6-tris(3-methylbut-2-enyl)cyclohexa-1,3-dien-1-yl] ester Formula: C28H40O5 MolecularWeight: 456.6142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)OC(=O)C)CC=C(C)C)O

Isomeric SMILES

CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)OC(=O)C)CC=C(C)C)O

InChI

InChI=1S/C28H40O5/c1-17(2)10-11-22-25(31)24(23(30)16-20(7)8)26(32)28(14-12-18(3)4,15-13-19(5)6)27(22)33-21(9)29/h10,12-13,20,31H,11,14-16H2,1-9H3