2-(2-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)cyclohexane-1,3-dione

Systemtic Name: 2-(2-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)cyclohexane-1,3-dione Openeye Name: 2-(2-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)cyclohexane-1,3-dione CAS Name: 2-(2-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)cyclohexane-1,3-dione IUPAC Name: 2-(2-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)cyclohexane-1,3-dione Traditional Name: 2-(2-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)cyclohexane-1,3-quinone Formula: C21H20O3 MolecularWeight: 320.3817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC3=CC=CC=C3C2C4C(=O)CCCC4=O

Isomeric SMILES

CC1=CC2=C(C=C1)OCC3=CC=CC=C3C2C4C(=O)CCCC4=O

InChI

InChI=1S/C21H20O3/c1-13-9-10-19-16(11-13)20(21-17(22)7-4-8-18(21)23)15-6-3-2-5-14(15)12-24-19/h2-3,5-6,9-11,20-21H,4,7-8,12H2,1H3