[4-(1,3-benzodioxol-5-ylmethylideneamino)phenyl] 2,4,6-trimethylbenzenesulfonate

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethylideneamino)phenyl] 2,4,6-trimethylbenzenesulfonate Openeye Name: [4-(1,3-benzodioxol-5-ylmethyleneamino)phenyl] 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid [4-(1,3-benzodioxol-5-ylmethylideneamino)phenyl] ester IUPAC Name: [4-(1,3-benzodioxol-5-ylmethylideneamino)phenyl] 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid [4-(piperonylideneamino)phenyl] ester Formula: C23H21NO5S MolecularWeight: 423.48154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC=C(C=C2)N=CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC=C(C=C2)N=CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C23H21NO5S/c1-15-10-16(2)23(17(3)11-15)30(25,26)29-20-7-5-19(6-8-20)24-13-18-4-9-21-22(12-18)28-14-27-21/h4-13H,14H2,1-3H3