(3E)-4-oxidanylidene-6-phenylazanyl-3-[[4-(2-sulfooxyethylsulfamoyl)naphthalen-1-yl]hydrazinylidene]naphthalene-2-sulfonic acid

Systemtic Name: (3E)-4-oxidanylidene-6-phenylazanyl-3-[[4-(2-sulfooxyethylsulfamoyl)naphthalen-1-yl]hydrazinylidene]naphthalene-2-sulfonic acid Openeye Name: (3E)-6-anilino-4-oxo-3-[[4-(2-sulfooxyethylsulfamoyl)-1-naphthyl]hydrazono]naphthalene-2-sulfonic acid CAS Name: (3E)-6-anilino-4-oxo-3-[[4-(2-sulfooxyethylsulfamoyl)-1-naphthalenyl]hydrazinylidene]-2-naphthalenesulfonic acid IUPAC Name: (3E)-6-anilino-4-oxo-3-[[4-(2-sulfooxyethylsulfamoyl)naphthalen-1-yl]hydrazinylidene]naphthalene-2-sulfonic acid Traditional Name: (3E)-6-anilino-4-keto-3-[[4-(2-sulfoxyethylsulfamoyl)-1-naphthyl]hydrazono]naphthalene-2-sulfonic acid Formula: C28H24N4O10S3 MolecularWeight: 672.70596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC3=C(C=C2)C=C(C(=NNC4=CC=C(C5=CC=CC=C54)S(=O)(=O)NCCOS(=O)(=O)O)C3=O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC3=C(C=C2)C=C(/C(=N/NC4=CC=C(C5=CC=CC=C54)S(=O)(=O)NCCOS(=O)(=O)O)/C3=O)S(=O)(=O)O

InChI

InChI=1S/C28H24N4O10S3/c33-28-23-17-20(30-19-6-2-1-3-7-19)11-10-18(23)16-26(44(36,37)38)27(28)32-31-24-12-13-25(22-9-5-4-8-21(22)24)43(34,35)29-14-15-42-45(39,40)41/h1-13,16-17,29-31H,14-15H2,(H,36,37,38)(H,39,40,41)/b32-27-