1,7-bis(4-tert-butyl-2,6-dimethyl-cyclohexyl)heptan-4-one

Systemtic Name: 1,7-bis(4-tert-butyl-2,6-dimethyl-cyclohexyl)heptan-4-one Openeye Name: 1,7-bis(4-tert-butyl-2,6-dimethyl-cyclohexyl)heptan-4-one CAS Name: 1,7-bis(4-tert-butyl-2,6-dimethylcyclohexyl)-4-heptanone IUPAC Name: 1,7-bis(4-tert-butyl-2,6-dimethylcyclohexyl)heptan-4-one Traditional Name: 1,7-bis(4-tert-butyl-2,6-dimethyl-cyclohexyl)heptan-4-one Formula: C31H58O MolecularWeight: 446.79162

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1CCCC(=O)CCCC2C(CC(CC2C)C(C)(C)C)C)C)C(C)(C)C

Isomeric SMILES

CC1CC(CC(C1CCCC(=O)CCCC2C(CC(CC2C)C(C)(C)C)C)C)C(C)(C)C

InChI

InChI=1S/C31H58O/c1-21-17-25(30(5,6)7)18-22(2)28(21)15-11-13-27(32)14-12-16-29-23(3)19-26(20-24(29)4)31(8,9)10/h21-26,28-29H,11-20H2,1-10H3