[2-[(E)-(acridin-9-ylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(E)-(acridin-9-ylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[(E)-(acridin-9-ylhydrazono)methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(E)-(9-acridinylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [2-[(E)-(acridin-9-ylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(E)-(acridin-9-ylhydrazono)methyl]phenyl] ester Formula: C27H21N3O3S MolecularWeight: 467.53894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=NNC3=C4C=CC=CC4=NC5=CC=CC=C53

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2/C=N/NC3=C4C=CC=CC4=NC5=CC=CC=C53

InChI

InChI=1S/C27H21N3O3S/c1-19-14-16-21(17-15-19)34(31,32)33-26-13-7-2-8-20(26)18-28-30-27-22-9-3-5-11-24(22)29-25-12-6-4-10-23(25)27/h2-18H,1H3,(H,29,30)/b28-18+