3-[4-(2-methylundecan-2-yl)-2-phenylmethoxy-phenyl]cyclohexan-1-one

Systemtic Name: 3-[4-(2-methylundecan-2-yl)-2-phenylmethoxy-phenyl]cyclohexan-1-one Openeye Name: 3-[2-benzyloxy-4-(1,1-dimethyldecyl)phenyl]cyclohexanone CAS Name: 3-[4-(2-methylundecan-2-yl)-2-phenylmethoxyphenyl]-1-cyclohexanone IUPAC Name: 3-[4-(2-methylundecan-2-yl)-2-phenylmethoxyphenyl]cyclohexan-1-one Traditional Name: 3-[2-benzoxy-4-(1,1-dimethyldecyl)phenyl]cyclohexanone Formula: C31H44O2 MolecularWeight: 448.67986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCC(=O)C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCC(=O)C2)OCC3=CC=CC=C3

InChI

InChI=1S/C31H44O2/c1-4-5-6-7-8-9-13-21-31(2,3)27-19-20-29(26-17-14-18-28(32)22-26)30(23-27)33-24-25-15-11-10-12-16-25/h10-12,15-16,19-20,23,26H,4-9,13-14,17-18,21-22,24H2,1-3H3