(1E,3E)-2-methyl-4-[2-(4-methylphenyl)carbonylhydrazinyl]penta-1,3-diene-1-sulfonic acid

Systemtic Name: (1E,3E)-2-methyl-4-[2-(4-methylphenyl)carbonylhydrazinyl]penta-1,3-diene-1-sulfonic acid Openeye Name: (1E,3E)-2-methyl-4-[2-(4-methylbenzoyl)hydrazino]penta-1,3-diene-1-sulfonic acid CAS Name: (1E,3E)-2-methyl-4-[[(4-methylphenyl)-oxomethyl]hydrazo]-1-penta-1,3-dienesulfonic acid IUPAC Name: (1E,3E)-2-methyl-4-[2-(4-methylbenzoyl)hydrazinyl]penta-1,3-diene-1-sulfonic acid Traditional Name: (1E,3E)-2-methyl-4-(N'-p-toluoylhydrazino)penta-1,3-diene-1-sulfonic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NNC(=CC(=CS(=O)(=O)O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NN/C(=C/C(=C/S(=O)(=O)O)/C)/C

InChI

InChI=1S/C14H18N2O4S/c1-10-4-6-13(7-5-10)14(17)16-15-12(3)8-11(2)9-21(18,19)20/h4-9,15H,1-3H3,(H,16,17)(H,18,19,20)/b11-9+,12-8+