3-methyl-4-[5-methyl-2-[2-(3-methylbutanoyloxymethyl)oxiran-2-yl]-1-oxidanyl-cyclohexa-2,4-dien-1-yl]butanoate

Systemtic Name: 3-methyl-4-[5-methyl-2-[2-(3-methylbutanoyloxymethyl)oxiran-2-yl]-1-oxidanyl-cyclohexa-2,4-dien-1-yl]butanoate Openeye Name: 4-[1-hydroxy-5-methyl-2-[2-(3-methylbutanoyloxymethyl)oxiran-2-yl]cyclohexa-2,4-dien-1-yl]-3-methyl-butanoate CAS Name: 4-[1-hydroxy-5-methyl-2-[2-[(3-methyl-1-oxobutoxy)methyl]-2-oxiranyl]-1-cyclohexa-2,4-dienyl]-3-methylbutanoate IUPAC Name: 4-[1-hydroxy-5-methyl-2-[2-(3-methylbutanoyloxymethyl)oxiran-2-yl]cyclohexa-2,4-dien-1-yl]-3-methylbutanoate Traditional Name: 4-[1-hydroxy-2-[2-(isovaleryloxymethyl)oxiran-2-yl]-5-methyl-cyclohexa-2,4-dien-1-yl]-3-methyl-butyrate Formula: C20H29O6- MolecularWeight: 365.44066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(C1)(CC(C)CC(=O)[O-])O)C2(CO2)COC(=O)CC(C)C

Isomeric SMILES

CC1=CC=C(C(C1)(CC(C)CC(=O)[O-])O)C2(CO2)COC(=O)CC(C)C

InChI

InChI=1S/C20H30O6/c1-13(2)7-18(23)25-11-20(12-26-20)16-6-5-14(3)9-19(16,24)10-15(4)8-17(21)22/h5-6,13,15,24H,7-12H2,1-4H3,(H,21,22)/p-1