4-(2-azanylethylamino)-3-oxidanyl-naphthalene-1-sulfonic acid

Systemtic Name: 4-(2-azanylethylamino)-3-oxidanyl-naphthalene-1-sulfonic acid Openeye Name: 4-(2-aminoethylamino)-3-hydroxy-naphthalene-1-sulfonic acid CAS Name: 4-(2-aminoethylamino)-3-hydroxy-1-naphthalenesulfonic acid IUPAC Name: 4-(2-aminoethylamino)-3-hydroxynaphthalene-1-sulfonic acid Traditional Name: 4-(2-aminoethylamino)-3-hydroxy-naphthalene-1-sulfonic acid Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2NCCN)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2NCCN)O)S(=O)(=O)O

InChI

InChI=1S/C12H14N2O4S/c13-5-6-14-12-9-4-2-1-3-8(9)11(7-10(12)15)19(16,17)18/h1-4,7,14-15H,5-6,13H2,(H,16,17,18)