[(E,2S,3R)-2-[(4-bromophenyl)carbonylamino]-3-oxidanyl-octadec-4-enyl] 4-bromanylbenzoate

Systemtic Name: [(E,2S,3R)-2-[(4-bromophenyl)carbonylamino]-3-oxidanyl-octadec-4-enyl] 4-bromanylbenzoate Openeye Name: [(E,2S,3R)-2-[(4-bromobenzoyl)amino]-3-hydroxy-octadec-4-enyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(E,2S,3R)-2-[[(4-bromophenyl)-oxomethyl]amino]-3-hydroxyoctadec-4-enyl] ester IUPAC Name: [(E,2S,3R)-2-[(4-bromobenzoyl)amino]-3-hydroxyoctadec-4-enyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(E,2S,3R)-2-[(4-bromobenzoyl)amino]-3-hydroxy-octadec-4-enyl] ester Formula: C32H43Br2NO4 MolecularWeight: 665.49612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COC(=O)C1=CC=C(C=C1)Br)NC(=O)C2=CC=C(C=C2)Br)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC(=O)C1=CC=C(C=C1)Br)NC(=O)C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C32H43Br2NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-30(36)29(35-31(37)25-16-20-27(33)21-17-25)24-39-32(38)26-18-22-28(34)23-19-26/h14-23,29-30,36H,2-13,24H2,1H3,(H,35,37)/b15-14+/t29-,30+/m0/s1