tert-butyl (2R,4S,6R)-2,4,6-trimethyl-8-phenyl-octanoate

Systemtic Name: tert-butyl (2R,4S,6R)-2,4,6-trimethyl-8-phenyl-octanoate Openeye Name: tert-butyl (2R,4S,6R)-2,4,6-trimethyl-8-phenyl-octanoate CAS Name: (2R,4S,6R)-2,4,6-trimethyl-8-phenyloctanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R,4S,6R)-2,4,6-trimethyl-8-phenyloctanoate Traditional Name: (2R,4S,6R)-2,4,6-trimethyl-8-phenyl-caprylic acid tert-butyl ester Formula: C21H34O2 MolecularWeight: 318.49346

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)CC(C)CC(C)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)C[C@H](C)C[C@@H](C)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H34O2/c1-16(12-13-19-10-8-7-9-11-19)14-17(2)15-18(3)20(22)23-21(4,5)6/h7-11,16-18H,12-15H2,1-6H3/t16-,17+,18-/m1/s1