(7E)-7-[[3-nitro-2-oxidanyl-5-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-8-oxidanylidene-naphthalene-1,6-disulfonic acid

Systemtic Name: (7E)-7-[[3-nitro-2-oxidanyl-5-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-8-oxidanylidene-naphthalene-1,6-disulfonic acid Openeye Name: (7E)-7-[[2-hydroxy-3-nitro-5-(2-sulfooxyethylsulfonyl)phenyl]hydrazono]-8-oxo-naphthalene-1,6-disulfonic acid CAS Name: (7E)-7-[[2-hydroxy-3-nitro-5-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-8-oxonaphthalene-1,6-disulfonic acid IUPAC Name: (7E)-7-[[2-hydroxy-3-nitro-5-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-8-oxonaphthalene-1,6-disulfonic acid Traditional Name: (7E)-7-[[2-hydroxy-3-nitro-5-(2-sulfoxyethylsulfonyl)phenyl]hydrazono]-8-keto-naphthalene-1,6-disulfonic acid Formula: C18H15N3O16S4 MolecularWeight: 657.5822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)O)C(=O)C(=NNC3=CC(=CC(=C3O)[N+](=O)[O-])S(=O)(=O)CCOS(=O)(=O)O)C(=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)O)C(=O)/C(=N\NC3=CC(=CC(=C3O)[N+](=O)[O-])S(=O)(=O)CCOS(=O)(=O)O)/C(=C2)S(=O)(=O)O

InChI

InChI=1S/C18H15N3O16S4/c22-17-11(7-10(8-12(17)21(24)25)38(26,27)5-4-37-41(34,35)36)19-20-16-14(40(31,32)33)6-9-2-1-3-13(39(28,29)30)15(9)18(16)23/h1-3,6-8,19,22H,4-5H2,(H,28,29,30)(H,31,32,33)(H,34,35,36)/b20-16-