(3Z)-3-[(4-azanyl-2-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-7-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid

Systemtic Name: (3Z)-3-[(4-azanyl-2-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-7-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid Openeye Name: (3Z)-3-[(4-amino-2-sulfo-phenyl)hydrazono]-4-oxo-7-(3-sulfoanilino)naphthalene-2-sulfonic acid CAS Name: (3Z)-3-[(4-amino-2-sulfophenyl)hydrazinylidene]-4-oxo-7-(3-sulfoanilino)-2-naphthalenesulfonic acid IUPAC Name: (3Z)-3-[(4-amino-2-sulfophenyl)hydrazinylidene]-4-oxo-7-(3-sulfoanilino)naphthalene-2-sulfonic acid Traditional Name: (3Z)-3-[(4-amino-2-sulfo-phenyl)hydrazono]-4-keto-7-(3-sulfoanilino)naphthalene-2-sulfonic acid Formula: C22H18N4O10S3 MolecularWeight: 594.59412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)NC2=CC3=C(C=C2)C(=O)C(=NNC4=C(C=C(C=C4)N)S(=O)(=O)O)C(=C3)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)NC2=CC3=C(C=C2)C(=O)/C(=N/NC4=C(C=C(C=C4)N)S(=O)(=O)O)/C(=C3)S(=O)(=O)O

InChI

InChI=1S/C22H18N4O10S3/c23-13-4-7-18(19(10-13)38(31,32)33)25-26-21-20(39(34,35)36)9-12-8-15(5-6-17(12)22(21)27)24-14-2-1-3-16(11-14)37(28,29)30/h1-11,24-25H,23H2,(H,28,29,30)(H,31,32,33)(H,34,35,36)/b26-21+