4-(3,4-dimethyl-6-oxidanylidene-pyrano[2,3-c]pyrazol-1-yl)benzenesulfonic acid

Systemtic Name: 4-(3,4-dimethyl-6-oxidanylidene-pyrano[2,3-c]pyrazol-1-yl)benzenesulfonic acid Openeye Name: 4-(3,4-dimethyl-6-oxo-pyrano[2,3-c]pyrazol-1-yl)benzenesulfonic acid CAS Name: 4-(3,4-dimethyl-6-oxo-1-pyrano[2,3-c]pyrazolyl)benzenesulfonic acid IUPAC Name: 4-(3,4-dimethyl-6-oxopyrano[2,3-c]pyrazol-1-yl)benzenesulfonic acid Traditional Name: 4-(6-keto-3,4-dimethyl-pyrano[2,3-c]pyrazol-1-yl)besylic acid Formula: C14H12N2O5S MolecularWeight: 320.32048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C(=NN2C3=CC=C(C=C3)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C(=NN2C3=CC=C(C=C3)S(=O)(=O)O)C

InChI

InChI=1S/C14H12N2O5S/c1-8-7-12(17)21-14-13(8)9(2)15-16(14)10-3-5-11(6-4-10)22(18,19)20/h3-7H,1-2H3,(H,18,19,20)