[2-[(E,3S)-3-oxidanylbut-1-enyl]-5-phenethyl-3-(phenylcarbonyloxy)phenyl] benzoate

Systemtic Name: [2-[(E,3S)-3-oxidanylbut-1-enyl]-5-phenethyl-3-(phenylcarbonyloxy)phenyl] benzoate Openeye Name: [3-benzoyloxy-2-[(E,3S)-3-hydroxybut-1-enyl]-5-phenethyl-phenyl] benzoate CAS Name: benzoic acid [3-benzoyloxy-2-[(E,3S)-3-hydroxybut-1-enyl]-5-phenethylphenyl] ester IUPAC Name: [3-benzoyloxy-2-[(E,3S)-3-hydroxybut-1-enyl]-5-phenethylphenyl] benzoate Traditional Name: benzoic acid [3-benzoyloxy-2-[(E,3S)-3-hydroxybut-1-enyl]-5-phenethyl-phenyl] ester Formula: C32H28O5 MolecularWeight: 492.56172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC1=C(C=C(C=C1OC(=O)C2=CC=CC=C2)CCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O

Isomeric SMILES

C[C@@H](/C=C/C1=C(C=C(C=C1OC(=O)C2=CC=CC=C2)CCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C32H28O5/c1-23(33)17-20-28-29(36-31(34)26-13-7-3-8-14-26)21-25(19-18-24-11-5-2-6-12-24)22-30(28)37-32(35)27-15-9-4-10-16-27/h2-17,20-23,33H,18-19H2,1H3/b20-17+/t23-/m0/s1