(3E)-6-acetamido-4-oxidanylidene-3-[[2-oxidanyl-4-(2-sulfooxyethylsulfamoyl)phenyl]hydrazinylidene]naphthalene-2-sulfonic acid

Systemtic Name: (3E)-6-acetamido-4-oxidanylidene-3-[[2-oxidanyl-4-(2-sulfooxyethylsulfamoyl)phenyl]hydrazinylidene]naphthalene-2-sulfonic acid Openeye Name: (3E)-6-acetamido-3-[[2-hydroxy-4-(2-sulfooxyethylsulfamoyl)phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonic acid CAS Name: (3E)-6-acetamido-3-[[2-hydroxy-4-(2-sulfooxyethylsulfamoyl)phenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonic acid IUPAC Name: (3E)-6-acetamido-3-[[2-hydroxy-4-(2-sulfooxyethylsulfamoyl)phenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid Traditional Name: (3E)-6-acetamido-3-[[2-hydroxy-4-(2-sulfoxyethylsulfamoyl)phenyl]hydrazono]-4-keto-naphthalene-2-sulfonic acid Formula: C20H20N4O12S3 MolecularWeight: 604.5874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C=C(C(=NNC3=C(C=C(C=C3)S(=O)(=O)NCCOS(=O)(=O)O)O)C2=O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C=C(/C(=N/NC3=C(C=C(C=C3)S(=O)(=O)NCCOS(=O)(=O)O)O)/C2=O)S(=O)(=O)O

InChI

InChI=1S/C20H20N4O12S3/c1-11(25)22-13-3-2-12-8-18(38(30,31)32)19(20(27)15(12)9-13)24-23-16-5-4-14(10-17(16)26)37(28,29)21-6-7-36-39(33,34)35/h2-5,8-10,21,23,26H,6-7H2,1H3,(H,22,25)(H,30,31,32)(H,33,34,35)/b24-19-