methyl 2-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-4,6-bis(oxidanylidene)cyclohexane-1-carboxylate

Systemtic Name: methyl 2-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-4,6-bis(oxidanylidene)cyclohexane-1-carboxylate Openeye Name: methyl 2-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-4,6-dioxo-cyclohexanecarboxylate CAS Name: 2-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-4,6-dioxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-4,6-dioxocyclohexane-1-carboxylate Traditional Name: 2-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]-4,6-diketo-cyclohexanecarboxylic acid methyl ester Formula: C30H38O5 MolecularWeight: 478.61972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=O)CC(=O)C2C(=O)OC)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=O)CC(=O)C2C(=O)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C30H38O5/c1-5-6-7-11-16-30(2,3)22-14-15-24(27(17-22)35-20-21-12-9-8-10-13-21)25-18-23(31)19-26(32)28(25)29(33)34-4/h8-10,12-15,17,25,28H,5-7,11,16,18-20H2,1-4H3