[(E,2S,3S,4R)-2-benzamido-3,4-bis(phenylcarbonyloxy)octadec-6-enyl] benzoate

Systemtic Name: [(E,2S,3S,4R)-2-benzamido-3,4-bis(phenylcarbonyloxy)octadec-6-enyl] benzoate Openeye Name: [(E,2S,3S,4R)-2-benzamido-3,4-dibenzoyloxy-octadec-6-enyl] benzoate CAS Name: benzoic acid [(E,2S,3S,4R)-2-benzamido-3,4-dibenzoyloxyoctadec-6-enyl] ester IUPAC Name: [(E,2S,3S,4R)-2-benzamido-3,4-dibenzoyloxyoctadec-6-enyl] benzoate Traditional Name: benzoic acid [(E,2S,3S,4R)-2-benzamido-3,4-dibenzoyloxy-octadec-6-enyl] ester Formula: C46H53NO7 MolecularWeight: 731.91552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC=CCC(C(C(COC(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCC/C=C/C[C@H]([C@H]([C@H](COC(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C46H53NO7/c1-2-3-4-5-6-7-8-9-10-11-12-25-34-41(53-45(50)38-30-21-15-22-31-38)42(54-46(51)39-32-23-16-24-33-39)40(47-43(48)36-26-17-13-18-27-36)35-52-44(49)37-28-19-14-20-29-37/h12-33,40-42H,2-11,34-35H2,1H3,(H,47,48)/b25-12+/t40-,41+,42-/m0/s1