phenacyl 2,3,4,5,6-pentamethylbenzoate

Systemtic Name: phenacyl 2,3,4,5,6-pentamethylbenzoate Openeye Name: phenacyl 2,3,4,5,6-pentamethylbenzoate CAS Name: 2,3,4,5,6-pentamethylbenzoic acid phenacyl ester IUPAC Name: phenacyl 2,3,4,5,6-pentamethylbenzoate Traditional Name: 2,3,4,5,6-pentamethylbenzoic acid phenacyl ester Formula: C20H22O3 MolecularWeight: 310.38688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)C(=O)OCC(=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)C(=O)OCC(=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C20H22O3/c1-12-13(2)15(4)19(16(5)14(12)3)20(22)23-11-18(21)17-9-7-6-8-10-17/h6-10H,11H2,1-5H3