4-oxidanyl-5-(pyridin-4-ylcarbonylamino)naphthalene-2,7-disulfonic acid

Systemtic Name: 4-oxidanyl-5-(pyridin-4-ylcarbonylamino)naphthalene-2,7-disulfonic acid Openeye Name: 4-hydroxy-5-(pyridine-4-carbonylamino)naphthalene-2,7-disulfonic acid CAS Name: 4-hydroxy-5-[[oxo(pyridin-4-yl)methyl]amino]naphthalene-2,7-disulfonic acid IUPAC Name: 4-hydroxy-5-(pyridine-4-carbonylamino)naphthalene-2,7-disulfonic acid Traditional Name: 4-hydroxy-5-isonicotinamido-naphthalene-2,7-disulfonic acid Formula: C16H12N2O8S2 MolecularWeight: 424.40508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O

Isomeric SMILES

C1=CN=CC=C1C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O

InChI

InChI=1S/C16H12N2O8S2/c19-14-8-12(28(24,25)26)6-10-5-11(27(21,22)23)7-13(15(10)14)18-16(20)9-1-3-17-4-2-9/h1-8,19H,(H,18,20)(H,21,22,23)(H,24,25,26)