[5-ethanoyl-1-(3-methylbutanoyloxy)cyclohexa-2,4-dien-1-yl]methyl 3-methylbutanoate

Systemtic Name: [5-ethanoyl-1-(3-methylbutanoyloxy)cyclohexa-2,4-dien-1-yl]methyl 3-methylbutanoate Openeye Name: [5-acetyl-1-(3-methylbutanoyloxy)cyclohexa-2,4-dien-1-yl]methyl 3-methylbutanoate CAS Name: 3-methylbutanoic acid [5-acetyl-1-(3-methyl-1-oxobutoxy)-1-cyclohexa-2,4-dienyl]methyl ester IUPAC Name: [5-acetyl-1-(3-methylbutanoyloxy)cyclohexa-2,4-dien-1-yl]methyl 3-methylbutanoate Traditional Name: 3-methylbutyric acid (5-acetyl-1-isovaleryloxy-cyclohexa-2,4-dien-1-yl)methyl ester Formula: C19H28O5 MolecularWeight: 336.42262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OCC1(CC(=CC=C1)C(=O)C)OC(=O)CC(C)C

Isomeric SMILES

CC(C)CC(=O)OCC1(CC(=CC=C1)C(=O)C)OC(=O)CC(C)C

InChI

InChI=1S/C19H28O5/c1-13(2)9-17(21)23-12-19(24-18(22)10-14(3)4)8-6-7-16(11-19)15(5)20/h6-8,13-14H,9-12H2,1-5H3