6-methyl-5-(3-oxidanylidene-1H-pyrazol-2-yl)naphthalene-1,3-disulfonic acid

Systemtic Name: 6-methyl-5-(3-oxidanylidene-1H-pyrazol-2-yl)naphthalene-1,3-disulfonic acid Openeye Name: 6-methyl-5-(3-oxo-1H-pyrazol-2-yl)naphthalene-1,3-disulfonic acid CAS Name: 6-methyl-5-(3-oxo-1H-pyrazol-2-yl)naphthalene-1,3-disulfonic acid IUPAC Name: 6-methyl-5-(3-oxo-1H-pyrazol-2-yl)naphthalene-1,3-disulfonic acid Traditional Name: 5-(5-keto-3-pyrazolin-1-yl)-6-methyl-naphthalene-1,3-disulfonic acid Formula: C14H12N2O7S2 MolecularWeight: 384.38428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=CC(=C2C=C1)S(=O)(=O)O)S(=O)(=O)O)N3C(=O)C=CN3

Isomeric SMILES

CC1=C(C2=CC(=CC(=C2C=C1)S(=O)(=O)O)S(=O)(=O)O)N3C(=O)C=CN3

InChI

InChI=1S/C14H12N2O7S2/c1-8-2-3-10-11(14(8)16-13(17)4-5-15-16)6-9(24(18,19)20)7-12(10)25(21,22)23/h2-7,15H,1H3,(H,18,19,20)(H,21,22,23)