[4-[(E)-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylhydrazinylidene)methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylhydrazinylidene)methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazono)methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-(2,3-dihydro-1,4-benzodioxin-3-carbonylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C24H22N2O7S MolecularWeight: 482.50568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC(=O)C3COC4=CC=CC=C4O3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3COC4=CC=CC=C4O3)OC

InChI

InChI=1S/C24H22N2O7S/c1-16-7-10-18(11-8-16)34(28,29)33-21-12-9-17(13-22(21)30-2)14-25-26-24(27)23-15-31-19-5-3-4-6-20(19)32-23/h3-14,23H,15H2,1-2H3,(H,26,27)/b25-14+