[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl] 4-bromanylbenzenesulfonate

Systemtic Name: [4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl] 4-bromanylbenzenesulfonate Openeye Name: [4-[(3,4,5-trimethoxyphenyl)methyleneamino]phenyl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl] ester IUPAC Name: [4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [4-[(3,4,5-trimethoxybenzylidene)amino]phenyl] ester Formula: C22H20BrNO6S MolecularWeight: 506.3663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=NC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C=NC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H20BrNO6S/c1-27-20-12-15(13-21(28-2)22(20)29-3)14-24-17-6-8-18(9-7-17)30-31(25,26)19-10-4-16(23)5-11-19/h4-14H,1-3H3