[2-methoxy-4-[(E)-(octadecanoylhydrazinylidene)methyl]phenyl] 3-bromanylbenzoate

Systemtic Name: [2-methoxy-4-[(E)-(octadecanoylhydrazinylidene)methyl]phenyl] 3-bromanylbenzoate Openeye Name: [2-methoxy-4-[(E)-(octadecanoylhydrazono)methyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-methoxy-4-[(E)-(1-oxooctadecylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(octadecanoylhydrazinylidene)methyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-methoxy-4-[(E)-(stearoylhydrazono)methyl]phenyl] ester Formula: C33H47BrN2O4 MolecularWeight: 615.64128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NN=CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)Br)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)Br)OC

InChI

InChI=1S/C33H47BrN2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32(37)36-35-26-27-22-23-30(31(24-27)39-2)40-33(38)28-19-18-20-29(34)25-28/h18-20,22-26H,3-17,21H2,1-2H3,(H,36,37)/b35-26+