3-[(5-nitro-2-oxidanyl-3-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid

Systemtic Name: 3-[(5-nitro-2-oxidanyl-3-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid Openeye Name: 3-[(2-hydroxy-5-nitro-3-sulfo-phenyl)hydrazono]-4-oxo-6-(3-sulfoanilino)naphthalene-2-sulfonic acid CAS Name: 3-[(2-hydroxy-5-nitro-3-sulfophenyl)hydrazinylidene]-4-oxo-6-(3-sulfoanilino)-2-naphthalenesulfonic acid IUPAC Name: 3-[(2-hydroxy-5-nitro-3-sulfophenyl)hydrazinylidene]-4-oxo-6-(3-sulfoanilino)naphthalene-2-sulfonic acid Traditional Name: 3-[(2-hydroxy-5-nitro-3-sulfo-phenyl)hydrazono]-4-keto-6-(3-sulfoanilino)naphthalene-2-sulfonic acid Formula: C22H16N4O13S3 MolecularWeight: 640.57644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)NC2=CC3=C(C=C2)C=C(C(=NNC4=CC(=CC(=C4O)S(=O)(=O)O)[N+](=O)[O-])C3=O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)NC2=CC3=C(C=C2)C=C(C(=NNC4=CC(=CC(=C4O)S(=O)(=O)O)[N+](=O)[O-])C3=O)S(=O)(=O)O

InChI

InChI=1S/C22H16N4O13S3/c27-21-16-8-13(23-12-2-1-3-15(7-12)40(31,32)33)5-4-11(16)6-18(41(34,35)36)20(21)25-24-17-9-14(26(29)30)10-19(22(17)28)42(37,38)39/h1-10,23-24,28H,(H,31,32,33)(H,34,35,36)(H,37,38,39)