disodium 4-benzamido-5-oxidanyl-naphthalene-1,7-disulfonate

Systemtic Name: disodium 4-benzamido-5-oxidanyl-naphthalene-1,7-disulfonate Openeye Name: disodium 4-benzamido-5-hydroxy-naphthalene-1,7-disulfonate CAS Name: disodium 4-benzamido-5-hydroxynaphthalene-1,7-disulfonate IUPAC Name: disodium 4-benzamido-5-hydroxynaphthalene-1,7-disulfonate Traditional Name: disodium 4-benzamido-5-hydroxy-naphthalene-1,7-disulfonate Formula: C17H11NNa2O8S2 MolecularWeight: 467.38068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/C17H13NO8S2.2Na/c19-14-9-11(27(21,22)23)8-12-15(28(24,25)26)7-6-13(16(12)14)18-17(20)10-4-2-1-3-5-10;;/h1-9,19H,(H,18,20)(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2