[2-[(E)-(octanoylhydrazinylidene)methyl]phenyl] benzenesulfonate

Systemtic Name: [2-[(E)-(octanoylhydrazinylidene)methyl]phenyl] benzenesulfonate Openeye Name: [2-[(E)-(octanoylhydrazono)methyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-[(E)-(1-oxooctylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [2-[(E)-(octanoylhydrazinylidene)methyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-[(E)-(caprylylhydrazono)methyl]phenyl] ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NN=CC1=CC=CC=C1OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)N/N=C/C1=CC=CC=C1OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O4S/c1-2-3-4-5-9-16-21(24)23-22-17-18-12-10-11-15-20(18)27-28(25,26)19-13-7-6-8-14-19/h6-8,10-15,17H,2-5,9,16H2,1H3,(H,23,24)/b22-17+