[(E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-pent-1-en-3-yl] heptanoate

Systemtic Name: [(E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-pent-1-en-3-yl] heptanoate Openeye Name: [(E)-3-(1,3-benzodioxol-5-yl)-1-tert-butyl-allyl] heptanoate CAS Name: heptanoic acid [(E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-yl] ester IUPAC Name: [(E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-yl] heptanoate Traditional Name: enanthic acid [(E)-3-(1,3-benzodioxol-5-yl)-1-tert-butyl-allyl] ester Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC(C=CC1=CC2=C(C=C1)OCO2)C(C)(C)C

Isomeric SMILES

CCCCCCC(=O)OC(/C=C/C1=CC2=C(C=C1)OCO2)C(C)(C)C

InChI

InChI=1S/C21H30O4/c1-5-6-7-8-9-20(22)25-19(21(2,3)4)13-11-16-10-12-17-18(14-16)24-15-23-17/h10-14,19H,5-9,15H2,1-4H3/b13-11+