disodium 5-oxidanyl-4-[(6-oxidanylnaphthalen-2-yl)sulfonylamino]naphthalene-1,7-disulfonate

Systemtic Name: disodium 5-oxidanyl-4-[(6-oxidanylnaphthalen-2-yl)sulfonylamino]naphthalene-1,7-disulfonate Openeye Name: disodium 5-hydroxy-4-[(6-hydroxy-2-naphthyl)sulfonylamino]naphthalene-1,7-disulfonate CAS Name: disodium 5-hydroxy-4-[(6-hydroxy-2-naphthalenyl)sulfonylamino]naphthalene-1,7-disulfonate IUPAC Name: disodium 5-hydroxy-4-[(6-hydroxynaphthalen-2-yl)sulfonylamino]naphthalene-1,7-disulfonate Traditional Name: disodium 5-hydroxy-4-[(6-hydroxy-2-naphthyl)sulfonylamino]naphthalene-1,7-disulfonate Formula: C20H13NNa2O10S3 MolecularWeight: 569.49246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)S(=O)(=O)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])O)C=C1O.[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=CC(=C2)S(=O)(=O)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])O)C=C1O.[Na+].[Na+]

InChI

InChI=1S/C20H15NO10S3.2Na/c22-13-3-1-12-8-14(4-2-11(12)7-13)32(24,25)21-17-5-6-19(34(29,30)31)16-9-15(33(26,27)28)10-18(23)20(16)17;;/h1-10,21-23H,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2