7-benzamido-4-oxidanylidene-3-[(5-oxidanyl-7-sulfo-naphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonic acid; sodium

Systemtic Name: 7-benzamido-4-oxidanylidene-3-[(5-oxidanyl-7-sulfo-naphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonic acid; sodium Openeye Name: 7-benzamido-3-[(5-hydroxy-7-sulfo-2-naphthyl)hydrazono]-4-oxo-naphthalene-2-sulfonic acid; sodium CAS Name: 7-benzamido-3-[(5-hydroxy-7-sulfo-2-naphthalenyl)hydrazinylidene]-4-oxo-2-naphthalenesulfonic acid; sodium IUPAC Name: 7-benzamido-3-[(5-hydroxy-7-sulfonaphthalen-2-yl)hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid; sodium Traditional Name: 7-benzamido-3-[(5-hydroxy-7-sulfo-2-naphthyl)hydrazono]-4-keto-naphthalene-2-sulfonic acid; sodium Formula: C27H19N3NaO9S2 MolecularWeight: 616.57423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=O)C(=NNC4=CC5=CC(=CC(=C5C=C4)O)S(=O)(=O)O)C(=C3)S(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=O)C(=NNC4=CC5=CC(=CC(=C5C=C4)O)S(=O)(=O)O)C(=C3)S(=O)(=O)O.[Na]

InChI

InChI=1S/C27H19N3O9S2.Na/c31-23-14-20(40(34,35)36)12-16-11-19(7-8-21(16)23)29-30-25-24(41(37,38)39)13-17-10-18(6-9-22(17)26(25)32)28-27(33)15-4-2-1-3-5-15;/h1-14,29,31H,(H,28,33)(H,34,35,36)(H,37,38,39);