(5-methyl-3-oxidanylidene-1-phenyl-6-phenylmethoxy-hexan-2-yl) benzoate

Systemtic Name: (5-methyl-3-oxidanylidene-1-phenyl-6-phenylmethoxy-hexan-2-yl) benzoate Openeye Name: (1-benzyl-5-benzyloxy-4-methyl-2-oxo-pentyl) benzoate CAS Name: benzoic acid (5-methyl-3-oxo-1-phenyl-6-phenylmethoxyhexan-2-yl) ester IUPAC Name: (5-methyl-3-oxo-1-phenyl-6-phenylmethoxyhexan-2-yl) benzoate Traditional Name: benzoic acid (5-benzoxy-1-benzyl-2-keto-4-methyl-pentyl) ester Formula: C27H28O4 MolecularWeight: 416.50882

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C(CC1=CC=CC=C1)OC(=O)C2=CC=CC=C2)COCC3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)C(CC1=CC=CC=C1)OC(=O)C2=CC=CC=C2)COCC3=CC=CC=C3

InChI

InChI=1S/C27H28O4/c1-21(19-30-20-23-13-7-3-8-14-23)17-25(28)26(18-22-11-5-2-6-12-22)31-27(29)24-15-9-4-10-16-24/h2-16,21,26H,17-20H2,1H3