[2-methoxy-4-[(E)-[(2-methylfuran-3-yl)carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-[(2-methylfuran-3-yl)carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-methoxy-4-[(E)-[(2-methylfuran-3-carbonyl)hydrazono]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[(E)-[[(2-methyl-3-furanyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[(E)-[(2-methyl-3-furoyl)hydrazono]methyl]phenyl] ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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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)C3=C(OC=C3)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=C(OC=C3)C)OC

InChI

InChI=1S/C21H20N2O6S/c1-14-4-7-17(8-5-14)30(25,26)29-19-9-6-16(12-20(19)27-3)13-22-23-21(24)18-10-11-28-15(18)2/h4-13H,1-3H3,(H,23,24)/b22-13+