sodium 4-benzamido-5-oxidanyl-7-sulfo-naphthalene-2-sulfonate

Systemtic Name: sodium 4-benzamido-5-oxidanyl-7-sulfo-naphthalene-2-sulfonate Openeye Name: sodium 4-benzamido-5-hydroxy-7-sulfo-naphthalene-2-sulfonate CAS Name: sodium 4-benzamido-5-hydroxy-7-sulfo-2-naphthalenesulfonate IUPAC Name: sodium 4-benzamido-5-hydroxy-7-sulfonaphthalene-2-sulfonate Traditional Name: sodium 4-benzamido-5-hydroxy-7-sulfo-naphthalene-2-sulfonate Formula: C17H12NNaO8S2 MolecularWeight: 445.39885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO8S2.Na/c19-15-9-13(28(24,25)26)7-11-6-12(27(21,22)23)8-14(16(11)15)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;+1/p-1