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

Systemtic Name: ethyl 4-[8-acetyloxy-4-ethanoyl-12-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]tridecyl]benzoate Openeye Name: ethyl 4-(8-acetoxy-4-acetyl-4-tert-butoxycarbonyl-12-methyl-tridecyl)benzoate CAS Name: 4-[4-acetyl-8-acetyloxy-12-methyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]tridecyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-acetyl-8-acetyloxy-12-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]tridecyl]benzoate Traditional Name: 4-(8-acetoxy-4-acetyl-4-tert-butoxycarbonyl-12-methyl-tridecyl)benzoic acid ethyl ester Formula: C32H50O7 MolecularWeight: 546.7352

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

Isomeric SMILES

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

InChI

InChI=1S/C32H50O7/c1-9-37-29(35)27-19-17-26(18-20-27)14-11-21-32(24(4)33,30(36)39-31(6,7)8)22-12-16-28(38-25(5)34)15-10-13-23(2)3/h17-20,23,28H,9-16,21-22H2,1-8H3