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

Systemtic Name: (E)-3-[4-(3-chloranyl-6-oxidanylidene-pyridazin-1-yl)sulfonylphenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(3-chloro-6-oxo-pyridazin-1-yl)sulfonylphenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[(3-chloro-6-oxo-1-pyridazinyl)sulfonyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(3-chloro-6-oxopyridazin-1-yl)sulfonylphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(3-chloro-6-keto-pyridazin-1-yl)sulfonylphenyl]acrylic acid Formula: C13H9ClN2O5S MolecularWeight: 340.73896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClN2O5S/c14-11-6-7-12(17)16(15-11)22(20,21)10-4-1-9(2-5-10)3-8-13(18)19/h1-8H,(H,18,19)/b8-3+