4-oxidanyl-7-(pyridin-3-ylmethylamino)naphthalene-2-sulfonic acid

Systemtic Name: 4-oxidanyl-7-(pyridin-3-ylmethylamino)naphthalene-2-sulfonic acid Openeye Name: 4-hydroxy-7-(3-pyridylmethylamino)naphthalene-2-sulfonic acid CAS Name: 4-hydroxy-7-(3-pyridinylmethylamino)-2-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-7-(pyridin-3-ylmethylamino)naphthalene-2-sulfonic acid Traditional Name: 4-hydroxy-7-(3-pyridylmethylamino)naphthalene-2-sulfonic acid Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CNC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O

InChI

InChI=1S/C16H14N2O4S/c19-16-8-14(23(20,21)22)7-12-6-13(3-4-15(12)16)18-10-11-2-1-5-17-9-11/h1-9,18-19H,10H2,(H,20,21,22)