(3E)-3-[[2-nitro-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-1-sulfonic acid

Systemtic Name: (3E)-3-[[2-nitro-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-1-sulfonic acid Openeye Name: (3E)-3-[[2-nitro-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazono]-4-oxo-naphthalene-1-sulfonic acid CAS Name: (3E)-3-[[2-nitro-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxo-1-naphthalenesulfonic acid IUPAC Name: (3E)-3-[[2-nitro-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxonaphthalene-1-sulfonic acid Traditional Name: (3E)-4-keto-3-[[2-nitro-4-(2-sulfoxyethylsulfonyl)phenyl]hydrazono]naphthalene-1-sulfonic acid Formula: C18H15N3O12S3 MolecularWeight: 561.5196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=NNC3=C(C=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)[N+](=O)[O-])C2=O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C/C(=N\NC3=C(C=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)[N+](=O)[O-])/C2=O)S(=O)(=O)O

InChI

InChI=1S/C18H15N3O12S3/c22-18-13-4-2-1-3-12(13)17(35(27,28)29)10-15(18)20-19-14-6-5-11(9-16(14)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)/b20-15+