ethyl 4-(8-acetyloxy-4-ethanoyl-12-methyl-tridecyl)benzoate

Systemtic Name: ethyl 4-(8-acetyloxy-4-ethanoyl-12-methyl-tridecyl)benzoate Openeye Name: ethyl 4-(8-acetoxy-4-acetyl-12-methyl-tridecyl)benzoate CAS Name: 4-(4-acetyl-8-acetyloxy-12-methyltridecyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-acetyl-8-acetyloxy-12-methyltridecyl)benzoate Traditional Name: 4-(8-acetoxy-4-acetyl-12-methyl-tridecyl)benzoic acid ethyl ester Formula: C27H42O5 MolecularWeight: 446.61938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCCC(CCCC(CCCC(C)C)OC(=O)C)C(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCCC(CCCC(CCCC(C)C)OC(=O)C)C(=O)C

InChI

InChI=1S/C27H42O5/c1-6-31-27(30)25-18-16-23(17-19-25)11-8-12-24(21(4)28)13-9-15-26(32-22(5)29)14-7-10-20(2)3/h16-20,24,26H,6-15H2,1-5H3