calcium 2-azanyl-5-oxidanyl-naphthalene-1,7-disulfonate

Systemtic Name: calcium 2-azanyl-5-oxidanyl-naphthalene-1,7-disulfonate Openeye Name: calcium 2-amino-5-hydroxy-naphthalene-1,7-disulfonate CAS Name: calcium 2-amino-5-hydroxynaphthalene-1,7-disulfonate IUPAC Name: calcium 2-amino-5-hydroxynaphthalene-1,7-disulfonate Traditional Name: calcium 2-amino-5-hydroxy-naphthalene-1,7-disulfonate Formula: C10H7CaNO7S2 MolecularWeight: 357.37308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=CC(=CC(=C21)O)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Ca+2]

Isomeric SMILES

C1=CC(=C(C2=CC(=CC(=C21)O)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Ca+2]

InChI

InChI=1S/C10H9NO7S2.Ca/c11-8-2-1-6-7(10(8)20(16,17)18)3-5(4-9(6)12)19(13,14)15;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+2/p-2