(8E)-8-[[2-nitro-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-7-oxidanylidene-naphthalene-1,3-disulfonic acid

Systemtic Name: (8E)-8-[[2-nitro-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-7-oxidanylidene-naphthalene-1,3-disulfonic acid Openeye Name: (8E)-8-[[2-nitro-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazono]-7-oxo-naphthalene-1,3-disulfonic acid CAS Name: (8E)-8-[[2-nitro-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-7-oxonaphthalene-1,3-disulfonic acid IUPAC Name: (8E)-8-[[2-nitro-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-7-oxonaphthalene-1,3-disulfonic acid Traditional Name: (8E)-7-keto-8-[[2-nitro-4-(2-sulfoxyethylsulfonyl)phenyl]hydrazono]naphthalene-1,3-disulfonic acid Formula: C18H15N3O15S4 MolecularWeight: 641.5828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=NNC2=C(C=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)[N+](=O)[O-])C3=C(C=C(C=C31)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=O)/C(=N/NC2=C(C=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)[N+](=O)[O-])/C3=C(C=C(C=C31)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H15N3O15S4/c22-15-4-1-10-7-12(38(27,28)29)9-16(39(30,31)32)17(10)18(15)20-19-13-3-2-11(8-14(13)21(23)24)37(25,26)6-5-36-40(33,34)35/h1-4,7-9,19H,5-6H2,(H,27,28,29)(H,30,31,32)(H,33,34,35)/b20-18-