4-[(2E)-2-(4-ethanoyl-3,5-dimethyl-pyrrol-2-ylidene)hydrazinyl]benzenesulfonic acid

Systemtic Name: 4-[(2E)-2-(4-ethanoyl-3,5-dimethyl-pyrrol-2-ylidene)hydrazinyl]benzenesulfonic acid Openeye Name: 4-[(2E)-2-(4-acetyl-3,5-dimethyl-pyrrol-2-ylidene)hydrazino]benzenesulfonic acid CAS Name: 4-[(2E)-2-(4-acetyl-3,5-dimethyl-2-pyrrolylidene)hydrazinyl]benzenesulfonic acid IUPAC Name: 4-[(2E)-2-(4-acetyl-3,5-dimethylpyrrol-2-ylidene)hydrazinyl]benzenesulfonic acid Traditional Name: 4-[(N'E)-N'-(4-acetyl-3,5-dimethyl-pyrrol-2-ylidene)hydrazino]besylic acid Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC1=NNC2=CC=C(C=C2)S(=O)(=O)O)C)C(=O)C

Isomeric SMILES

CC\1=C(C(=N/C1=N/NC2=CC=C(C=C2)S(=O)(=O)O)C)C(=O)C

InChI

InChI=1S/C14H15N3O4S/c1-8-13(10(3)18)9(2)15-14(8)17-16-11-4-6-12(7-5-11)22(19,20)21/h4-7,16H,1-3H3,(H,19,20,21)/b17-14+