(E)-3-[4-[3-(carboxymethyloxy)-6-oxidanylidene-pyridazin-1-yl]sulfonylphenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[3-(carboxymethyloxy)-6-oxidanylidene-pyridazin-1-yl]sulfonylphenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[3-(carboxymethyloxy)-6-oxo-pyridazin-1-yl]sulfonylphenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[3-(carboxymethyloxy)-6-oxo-1-pyridazinyl]sulfonyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[3-(carboxymethyloxy)-6-oxopyridazin-1-yl]sulfonylphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[3-(carboxymethyloxy)-6-keto-pyridazin-1-yl]sulfonylphenyl]acrylic acid Formula: C15H12N2O8S MolecularWeight: 380.32938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)O)S(=O)(=O)N2C(=O)C=CC(=N2)OCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)O)S(=O)(=O)N2C(=O)C=CC(=N2)OCC(=O)O

InChI

InChI=1S/C15H12N2O8S/c18-13-7-6-12(25-9-15(21)22)16-17(13)26(23,24)11-4-1-10(2-5-11)3-8-14(19)20/h1-8H,9H2,(H,19,20)(H,21,22)/b8-3+