disodium 4-oxidanyl-5-(phenylsulfonylamino)naphthalene-2,7-disulfonate

Systemtic Name: disodium 4-oxidanyl-5-(phenylsulfonylamino)naphthalene-2,7-disulfonate Openeye Name: disodium 4-(benzenesulfonamido)-5-hydroxy-naphthalene-2,7-disulfonate CAS Name: disodium 4-(benzenesulfonamido)-5-hydroxynaphthalene-2,7-disulfonate IUPAC Name: disodium 4-(benzenesulfonamido)-5-hydroxynaphthalene-2,7-disulfonate Traditional Name: disodium 4-(benzenesulfonamido)-5-hydroxy-naphthalene-2,7-disulfonate Formula: C16H11NNa2O9S3 MolecularWeight: 503.43438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C16H13NO9S3.2Na/c18-15-9-13(29(24,25)26)7-10-6-12(28(21,22)23)8-14(16(10)15)17-27(19,20)11-4-2-1-3-5-11;;/h1-9,17-18H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2