(5E)-5-[[2-nitro-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-6-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: (5E)-5-[[2-nitro-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-6-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: (5E)-5-[[2-nitro-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazono]-6-oxo-naphthalene-2-sulfonic acid CAS Name: (5E)-5-[[2-nitro-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-6-oxo-2-naphthalenesulfonic acid IUPAC Name: (5E)-5-[[2-nitro-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-6-oxonaphthalene-2-sulfonic acid Traditional Name: (5E)-6-keto-5-[[2-nitro-4-(2-sulfoxyethylsulfonyl)phenyl]hydrazono]naphthalene-2-sulfonic acid Formula: C18H15N3O12S3 MolecularWeight: 561.5196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=O)C2=NNC3=C(C=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)[N+](=O)[O-])C=C1S(=O)(=O)O

Isomeric SMILES

C1=CC\2=C(C=CC(=O)/C2=N/NC3=C(C=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)[N+](=O)[O-])C=C1S(=O)(=O)O

InChI

InChI=1S/C18H15N3O12S3/c22-17-6-1-11-9-13(35(27,28)29)2-4-14(11)18(17)20-19-15-5-3-12(10-16(15)21(23)24)34(25,26)8-7-33-36(30,31)32/h1-6,9-10,19H,7-8H2,(H,27,28,29)(H,30,31,32)/b20-18+