[5-[2-(3-acetyloxycyclohexa-1,3-dien-1-yl)-2-adamantyl]cyclohexa-1,5-dien-1-yl] ethanoate

Systemtic Name: [5-[2-(3-acetyloxycyclohexa-1,3-dien-1-yl)-2-adamantyl]cyclohexa-1,5-dien-1-yl] ethanoate Openeye Name: [5-[2-(3-acetoxycyclohexa-1,3-dien-1-yl)-2-adamantyl]cyclohexa-1,5-dien-1-yl] acetate CAS Name: acetic acid [5-[2-(3-acetyloxy-1-cyclohexa-1,3-dienyl)-2-adamantyl]-1-cyclohexa-1,5-dienyl] ester IUPAC Name: [5-[2-(3-acetyloxycyclohexa-1,3-dien-1-yl)-2-adamantyl]cyclohexa-1,5-dien-1-yl] acetate Traditional Name: acetic acid [5-[2-(3-acetoxycyclohexa-1,3-dien-1-yl)-2-adamantyl]cyclohexa-1,5-dien-1-yl] ester Formula: C26H32O4 MolecularWeight: 408.52988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CCCC(=C1)C2(C3CC4CC(C3)CC2C4)C5=CC(=CCC5)OC(=O)C

Isomeric SMILES

CC(=O)OC1=CCCC(=C1)C2(C3CC4CC(C3)CC2C4)C5=CC(=CCC5)OC(=O)C

InChI

InChI=1S/C26H32O4/c1-16(27)29-24-7-3-5-20(14-24)26(21-6-4-8-25(15-21)30-17(2)28)22-10-18-9-19(12-22)13-23(26)11-18/h7-8,14-15,18-19,22-23H,3-6,9-13H2,1-2H3