ethyl 4-[8-acetyloxy-4-ethanoyl-9,9-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]tridecyl]benzoate

Systemtic Name: ethyl 4-[8-acetyloxy-4-ethanoyl-9,9-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]tridecyl]benzoate Openeye Name: ethyl 4-(8-acetoxy-4-acetyl-4-tert-butoxycarbonyl-9,9-dimethyl-tridecyl)benzoate CAS Name: 4-[4-acetyl-8-acetyloxy-9,9-dimethyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]tridecyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-acetyl-8-acetyloxy-9,9-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]tridecyl]benzoate Traditional Name: 4-(8-acetoxy-4-acetyl-4-tert-butoxycarbonyl-9,9-dimethyl-tridecyl)benzoic acid ethyl ester Formula: C33H52O7 MolecularWeight: 560.76178

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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)C(=O)OC(C)(C)C)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C33H52O7/c1-10-12-21-32(8,9)28(39-25(4)35)16-14-23-33(24(3)34,30(37)40-31(5,6)7)22-13-15-26-17-19-27(20-18-26)29(36)38-11-2/h17-20,28H,10-16,21-23H2,1-9H3