[2-[(E)-[(4-octoxyphenyl)carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(E)-[(4-octoxyphenyl)carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[(E)-[(4-octoxybenzoyl)hydrazono]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(E)-[[(4-octoxyphenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-[(E)-[(4-octoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(E)-[(4-octoxybenzoyl)hydrazono]methyl]phenyl] ester Formula: C29H34N2O5S MolecularWeight: 522.65566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)NN=CC2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)N/N=C/C2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C29H34N2O5S/c1-3-4-5-6-7-10-21-35-26-17-15-24(16-18-26)29(32)31-30-22-25-11-8-9-12-28(25)36-37(33,34)27-19-13-23(2)14-20-27/h8-9,11-20,22H,3-7,10,21H2,1-2H3,(H,31,32)/b30-22+