4-(2-azanylethylamino)-5-oxidanyl-naphthalene-1,7-disulfonic acid

Systemtic Name: 4-(2-azanylethylamino)-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 4-(2-aminoethylamino)-5-hydroxy-naphthalene-1,7-disulfonic acid CAS Name: 4-(2-aminoethylamino)-5-hydroxynaphthalene-1,7-disulfonic acid IUPAC Name: 4-(2-aminoethylamino)-5-hydroxynaphthalene-1,7-disulfonic acid Traditional Name: 4-(2-aminoethylamino)-5-hydroxy-naphthalene-1,7-disulfonic acid Formula: C12H14N2O7S2 MolecularWeight: 362.37876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(C=C(C2=C1NCCN)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C2C=C(C=C(C2=C1NCCN)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H14N2O7S2/c13-3-4-14-9-1-2-11(23(19,20)21)8-5-7(22(16,17)18)6-10(15)12(8)9/h1-2,5-6,14-15H,3-4,13H2,(H,16,17,18)(H,19,20,21)