4-[(E)-[(6-methyl-1,3-benzodioxol-5-yl)sulfonylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 4-[(E)-[(6-methyl-1,3-benzodioxol-5-yl)sulfonylhydrazinylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[(6-methyl-1,3-benzodioxol-5-yl)sulfonylhydrazono]methyl]benzoic acid CAS Name: 4-[(E)-[(6-methyl-1,3-benzodioxol-5-yl)sulfonylhydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[(6-methyl-1,3-benzodioxol-5-yl)sulfonylhydrazinylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[(6-methyl-1,3-benzodioxol-5-yl)sulfonylhydrazono]methyl]benzoic acid Formula: C16H14N2O6S MolecularWeight: 362.35716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)NN=CC3=CC=C(C=C3)C(=O)O)OCO2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)N/N=C/C3=CC=C(C=C3)C(=O)O)OCO2

InChI

InChI=1S/C16H14N2O6S/c1-10-6-13-14(24-9-23-13)7-15(10)25(21,22)18-17-8-11-2-4-12(5-3-11)16(19)20/h2-8,18H,9H2,1H3,(H,19,20)/b17-8+