(2,6-ditert-butyl-4-methoxy-phenyl) (1R,2S)-2-butylcyclohexane-1-carboxylate

Systemtic Name: (2,6-ditert-butyl-4-methoxy-phenyl) (1R,2S)-2-butylcyclohexane-1-carboxylate Openeye Name: (2,6-ditert-butyl-4-methoxy-phenyl) (1R,2S)-2-butylcyclohexanecarboxylate CAS Name: (1R,2S)-2-butyl-1-cyclohexanecarboxylic acid (2,6-ditert-butyl-4-methoxyphenyl) ester IUPAC Name: (2,6-ditert-butyl-4-methoxyphenyl) (1R,2S)-2-butylcyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-butylcyclohexanecarboxylic acid (2,6-ditert-butyl-4-methoxy-phenyl) ester Formula: C26H42O3 MolecularWeight: 402.60988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCCCC1C(=O)OC2=C(C=C(C=C2C(C)(C)C)OC)C(C)(C)C

Isomeric SMILES

CCCC[C@H]1CCCC[C@H]1C(=O)OC2=C(C=C(C=C2C(C)(C)C)OC)C(C)(C)C

InChI

InChI=1S/C26H42O3/c1-9-10-13-18-14-11-12-15-20(18)24(27)29-23-21(25(2,3)4)16-19(28-8)17-22(23)26(5,6)7/h16-18,20H,9-15H2,1-8H3/t18-,20+/m0/s1