ethyl 4-(8-acetyloxy-4-ethanoyl-9,9-dimethyl-tridecyl)benzoate

Systemtic Name: ethyl 4-(8-acetyloxy-4-ethanoyl-9,9-dimethyl-tridecyl)benzoate Openeye Name: ethyl 4-(8-acetoxy-4-acetyl-9,9-dimethyl-tridecyl)benzoate CAS Name: 4-(4-acetyl-8-acetyloxy-9,9-dimethyltridecyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-acetyl-8-acetyloxy-9,9-dimethyltridecyl)benzoate Traditional Name: 4-(8-acetoxy-4-acetyl-9,9-dimethyl-tridecyl)benzoic acid ethyl ester Formula: C28H44O5 MolecularWeight: 460.64596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(CCCC(CCCC1=CC=C(C=C1)C(=O)OCC)C(=O)C)OC(=O)C

Isomeric SMILES

CCCCC(C)(C)C(CCCC(CCCC1=CC=C(C=C1)C(=O)OCC)C(=O)C)OC(=O)C

InChI

InChI=1S/C28H44O5/c1-7-9-20-28(5,6)26(33-22(4)30)15-11-14-24(21(3)29)13-10-12-23-16-18-25(19-17-23)27(31)32-8-2/h16-19,24,26H,7-15,20H2,1-6H3