ethyl 4-[8-acetyloxy-4-ethanoyl-12,12-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]tridecyl]benzoate

Systemtic Name: ethyl 4-[8-acetyloxy-4-ethanoyl-12,12-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]tridecyl]benzoate Openeye Name: ethyl 4-(8-acetoxy-4-acetyl-4-tert-butoxycarbonyl-12,12-dimethyl-tridecyl)benzoate CAS Name: 4-[4-acetyl-8-acetyloxy-12,12-dimethyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]tridecyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-acetyl-8-acetyloxy-12,12-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]tridecyl]benzoate Traditional Name: 4-(8-acetoxy-4-acetyl-4-tert-butoxycarbonyl-12,12-dimethyl-tridecyl)benzoic acid ethyl ester Formula: C33H52O7 MolecularWeight: 560.76178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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