6-[(5-oxidanylidenepyrazol-3-yl)methyl]naphthalene-1-sulfonic acid

Systemtic Name: 6-[(5-oxidanylidenepyrazol-3-yl)methyl]naphthalene-1-sulfonic acid Openeye Name: 6-[(5-oxopyrazol-3-yl)methyl]naphthalene-1-sulfonic acid CAS Name: 6-[(5-oxo-3-pyrazolyl)methyl]-1-naphthalenesulfonic acid IUPAC Name: 6-[(5-oxopyrazol-3-yl)methyl]naphthalene-1-sulfonic acid Traditional Name: 6-[(5-ketopyrazol-3-yl)methyl]naphthalene-1-sulfonic acid Formula: C14H10N2O4S MolecularWeight: 302.3052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)CC3=CC(=O)N=N3)C(=C1)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2)CC3=CC(=O)N=N3)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C14H10N2O4S/c17-14-8-11(15-16-14)7-9-4-5-12-10(6-9)2-1-3-13(12)21(18,19)20/h1-6,8H,7H2,(H,18,19,20)