[2-methoxy-4-[(phthalazin-1-ylhydrazinylidene)methyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(phthalazin-1-ylhydrazinylidene)methyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [2-methoxy-4-[(phthalazin-1-ylhydrazono)methyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [2-methoxy-4-[(1-phthalazinylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(phthalazin-1-ylhydrazinylidene)methyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [2-methoxy-4-[(phthalazin-1-ylhydrazono)methyl]phenyl] ester Formula: C24H22N4O4S MolecularWeight: 462.52088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC3=NN=CC4=CC=CC=C43)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC3=NN=CC4=CC=CC=C43)OC

InChI

InChI=1S/C24H22N4O4S/c1-16-8-9-17(2)23(12-16)33(29,30)32-21-11-10-18(13-22(21)31-3)14-25-27-24-20-7-5-4-6-19(20)15-26-28-24/h4-15H,1-3H3,(H,27,28)