[4-bromanyl-2-[(E)-(octadecanoylhydrazinylidene)methyl]phenyl] 3-methylbenzoate

Systemtic Name: [4-bromanyl-2-[(E)-(octadecanoylhydrazinylidene)methyl]phenyl] 3-methylbenzoate Openeye Name: [4-bromo-2-[(E)-(octadecanoylhydrazono)methyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-bromo-2-[(E)-(1-oxooctadecylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-(octadecanoylhydrazinylidene)methyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-bromo-2-[(E)-(stearoylhydrazono)methyl]phenyl] ester Formula: C33H47BrN2O3 MolecularWeight: 599.64188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H47BrN2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32(37)36-35-26-29-25-30(34)22-23-31(29)39-33(38)28-20-18-19-27(2)24-28/h18-20,22-26H,3-17,21H2,1-2H3,(H,36,37)/b35-26+