[(3S,5R)-2,5-dimethyl-6-oxidanylidene-hexan-3-yl] 2-(diphenylmethyl)benzoate

Systemtic Name: [(3S,5R)-2,5-dimethyl-6-oxidanylidene-hexan-3-yl] 2-(diphenylmethyl)benzoate Openeye Name: [(1S,3R)-1-isopropyl-3-methyl-4-oxo-butyl] 2-benzhydrylbenzoate CAS Name: 2-(diphenylmethyl)benzoic acid [(3S,5R)-2,5-dimethyl-6-oxohexan-3-yl] ester IUPAC Name: [(3S,5R)-2,5-dimethyl-6-oxohexan-3-yl] 2-benzhydrylbenzoate Traditional Name: 2-benzhydrylbenzoic acid [(1S,3R)-1-isopropyl-4-keto-3-methyl-butyl] ester Formula: C28H30O3 MolecularWeight: 414.536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(C)C=O)OC(=O)C1=CC=CC=C1C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C[C@@H](C(C)C)OC(=O)C1=CC=CC=C1C(C2=CC=CC=C2)C3=CC=CC=C3)C=O

InChI

InChI=1S/C28H30O3/c1-20(2)26(18-21(3)19-29)31-28(30)25-17-11-10-16-24(25)27(22-12-6-4-7-13-22)23-14-8-5-9-15-23/h4-17,19-21,26-27H,18H2,1-3H3/t21-,26+/m1/s1