ethyl 3-[(E)-8-acetyloxy-4-ethanoyl-4-[(2-methylpropan-2-yl)oxycarbonyl]tridec-1-enyl]benzoate

Systemtic Name: ethyl 3-[(E)-8-acetyloxy-4-ethanoyl-4-[(2-methylpropan-2-yl)oxycarbonyl]tridec-1-enyl]benzoate Openeye Name: ethyl 3-[(E)-8-acetoxy-4-acetyl-4-tert-butoxycarbonyl-tridec-1-enyl]benzoate CAS Name: 3-[(E)-4-acetyl-8-acetyloxy-4-[(2-methylpropan-2-yl)oxy-oxomethyl]tridec-1-enyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(E)-4-acetyl-8-acetyloxy-4-[(2-methylpropan-2-yl)oxycarbonyl]tridec-1-enyl]benzoate Traditional Name: 3-[(E)-8-acetoxy-4-acetyl-4-tert-butoxycarbonyl-tridec-1-enyl]benzoic acid ethyl ester Formula: C31H46O7 MolecularWeight: 530.69274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC(CC=CC1=CC(=CC=C1)C(=O)OCC)(C(=O)C)C(=O)OC(C)(C)C)OC(=O)C

Isomeric SMILES

CCCCCC(CCCC(C/C=C/C1=CC(=CC=C1)C(=O)OCC)(C(=O)C)C(=O)OC(C)(C)C)OC(=O)C

InChI

InChI=1S/C31H46O7/c1-8-10-11-18-27(37-24(4)33)19-14-21-31(23(3)32,29(35)38-30(5,6)7)20-13-16-25-15-12-17-26(22-25)28(34)36-9-2/h12-13,15-17,22,27H,8-11,14,18-21H2,1-7H3/b16-13+