[3-(2,5-dimethylphenyl)-6-oxidanylidene-4,5-dihydro-3aH-pentalen-2-yl] decanoate

Systemtic Name: [3-(2,5-dimethylphenyl)-6-oxidanylidene-4,5-dihydro-3aH-pentalen-2-yl] decanoate Openeye Name: [3-(2,5-dimethylphenyl)-6-oxo-4,5-dihydro-3aH-pentalen-2-yl] decanoate CAS Name: decanoic acid [3-(2,5-dimethylphenyl)-6-oxo-4,5-dihydro-3aH-pentalen-2-yl] ester IUPAC Name: [3-(2,5-dimethylphenyl)-6-oxo-4,5-dihydro-3aH-pentalen-2-yl] decanoate Traditional Name: capric acid [3-(2,5-dimethylphenyl)-6-keto-4,5-dihydro-3aH-pentalen-2-yl] ester Formula: C26H34O3 MolecularWeight: 394.54636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC1=C(C2CCC(=O)C2=C1)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCCCCCCCC(=O)OC1=C(C2CCC(=O)C2=C1)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C26H34O3/c1-4-5-6-7-8-9-10-11-25(28)29-24-17-22-20(14-15-23(22)27)26(24)21-16-18(2)12-13-19(21)3/h12-13,16-17,20H,4-11,14-15H2,1-3H3