5-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cyclohexane-1,3-dione

Systemtic Name: 5-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cyclohexane-1,3-dione Openeye Name: 5-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]cyclohexane-1,3-dione CAS Name: 5-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]cyclohexane-1,3-dione IUPAC Name: 5-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]cyclohexane-1,3-dione Traditional Name: 5-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]cyclohexane-1,3-quinone Formula: C28H36O3 MolecularWeight: 420.58364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=O)CC(=O)C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=O)CC(=O)C2)OCC3=CC=CC=C3

InChI

InChI=1S/C28H36O3/c1-4-5-6-10-15-28(2,3)23-13-14-26(22-16-24(29)19-25(30)17-22)27(18-23)31-20-21-11-8-7-9-12-21/h7-9,11-14,18,22H,4-6,10,15-17,19-20H2,1-3H3