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

Systemtic Name: ethyl 4-[8-acetyloxy-4-ethanoyl-4-[(2-methylpropan-2-yl)oxycarbonyl]tridec-12-enyl]benzoate Openeye Name: ethyl 4-(8-acetoxy-4-acetyl-4-tert-butoxycarbonyl-tridec-12-enyl)benzoate CAS Name: 4-[4-acetyl-8-acetyloxy-4-[(2-methylpropan-2-yl)oxy-oxomethyl]tridec-12-enyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-acetyl-8-acetyloxy-4-[(2-methylpropan-2-yl)oxycarbonyl]tridec-12-enyl]benzoate Traditional Name: 4-(8-acetoxy-4-acetyl-4-tert-butoxycarbonyl-tridec-12-enyl)benzoic acid ethyl ester Formula: C31H46O7 MolecularWeight: 530.69274

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H46O7/c1-8-10-11-15-27(37-24(4)33)16-13-22-31(23(3)32,29(35)38-30(5,6)7)21-12-14-25-17-19-26(20-18-25)28(34)36-9-2/h8,17-20,27H,1,9-16,21-22H2,2-7H3