tetrasodium 4-azanyl-5-oxidanyl-naphthalene-1,3-disulfonate

Systemtic Name: tetrasodium 4-azanyl-5-oxidanyl-naphthalene-1,3-disulfonate Openeye Name: tetrasodium 4-amino-5-hydroxy-naphthalene-1,3-disulfonate CAS Name: tetrasodium 4-amino-5-hydroxynaphthalene-1,3-disulfonate IUPAC Name: tetrasodium 4-amino-5-hydroxynaphthalene-1,3-disulfonate Traditional Name: tetrasodium 4-amino-5-hydroxy-naphthalene-1,3-disulfonate Formula: C20H14N2Na4O14S4 MolecularWeight: 726.54924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)O)C(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N.C1=CC2=C(C(=C1)O)C(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C(=C1)O)C(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N.C1=CC2=C(C(=C1)O)C(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/2C10H9NO7S2.4Na/c2*11-10-8(20(16,17)18)4-7(19(13,14)15)5-2-1-3-6(12)9(5)10;;;;/h2*1-4,12H,11H2,(H,13,14,15)(H,16,17,18);;;;/q;;4*+1/p-4