[3-[(E)-3-(4-dodecoxyphenyl)-2-methyl-prop-2-enoyl]oxy-2-(phenylcarbonyloxy)propyl] benzoate

Systemtic Name: [3-[(E)-3-(4-dodecoxyphenyl)-2-methyl-prop-2-enoyl]oxy-2-(phenylcarbonyloxy)propyl] benzoate Openeye Name: [2-benzoyloxy-3-[(E)-3-(4-dodecoxyphenyl)-2-methyl-prop-2-enoyl]oxy-propyl] benzoate CAS Name: benzoic acid [2-benzoyloxy-3-[(E)-3-(4-dodecoxyphenyl)-2-methyl-1-oxoprop-2-enoxy]propyl] ester IUPAC Name: [2-benzoyloxy-3-[(E)-3-(4-dodecoxyphenyl)-2-methylprop-2-enoyl]oxypropyl] benzoate Traditional Name: benzoic acid [2-benzoyloxy-3-[(E)-3-(4-lauryloxyphenyl)-2-methyl-acryloyl]oxy-propyl] ester Formula: C39H48O7 MolecularWeight: 628.79422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C=C(C)C(=O)OCC(COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)/C=C(\C)/C(=O)OCC(COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C39H48O7/c1-3-4-5-6-7-8-9-10-11-18-27-43-35-25-23-32(24-26-35)28-31(2)37(40)44-29-36(46-39(42)34-21-16-13-17-22-34)30-45-38(41)33-19-14-12-15-20-33/h12-17,19-26,28,36H,3-11,18,27,29-30H2,1-2H3/b31-28+