ethyl 4-[(E)-8-acetyloxy-4-ethanoyl-4-ethoxycarbonyl-tridec-6-enyl]benzoate

Systemtic Name: ethyl 4-[(E)-8-acetyloxy-4-ethanoyl-4-ethoxycarbonyl-tridec-6-enyl]benzoate Openeye Name: ethyl 4-[(E)-8-acetoxy-4-acetyl-4-ethoxycarbonyl-tridec-6-enyl]benzoate CAS Name: 4-[(E)-4-acetyl-8-acetyloxy-4-ethoxycarbonyltridec-6-enyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-4-acetyl-8-acetyloxy-4-ethoxycarbonyltridec-6-enyl]benzoate Traditional Name: 4-[(E)-8-acetoxy-4-acetyl-4-carbethoxy-tridec-6-enyl]benzoic acid ethyl ester Formula: C29H42O7 MolecularWeight: 502.63958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CCC(CCCC1=CC=C(C=C1)C(=O)OCC)(C(=O)C)C(=O)OCC)OC(=O)C

Isomeric SMILES

CCCCCC(/C=C/CC(CCCC1=CC=C(C=C1)C(=O)OCC)(C(=O)C)C(=O)OCC)OC(=O)C

InChI

InChI=1S/C29H42O7/c1-6-9-10-14-26(36-23(5)31)15-12-21-29(22(4)30,28(33)35-8-3)20-11-13-24-16-18-25(19-17-24)27(32)34-7-2/h12,15-19,26H,6-11,13-14,20-21H2,1-5H3/b15-12+