5-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)-2-[(E)-2-(4-nitro-2-sulfo-phenyl)ethenyl]benzenesulfonic acid

Systemtic Name: 5-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)-2-[(E)-2-(4-nitro-2-sulfo-phenyl)ethenyl]benzenesulfonic acid Openeye Name: 5-(5-methyl-3-oxo-1H-pyrazol-2-yl)-2-[(E)-2-(4-nitro-2-sulfo-phenyl)vinyl]benzenesulfonic acid CAS Name: 5-(5-methyl-3-oxo-1H-pyrazol-2-yl)-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid IUPAC Name: 5-(5-methyl-3-oxo-1H-pyrazol-2-yl)-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid Traditional Name: 5-(5-keto-3-methyl-3-pyrazolin-1-yl)-2-[(E)-2-(4-nitro-2-sulfo-phenyl)vinyl]besylic acid Formula: C18H15N3O9S2 MolecularWeight: 481.4564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)C2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=O)N(N1)C2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H15N3O9S2/c1-11-8-18(22)20(19-11)14-6-4-12(16(9-14)31(25,26)27)2-3-13-5-7-15(21(23)24)10-17(13)32(28,29)30/h2-10,19H,1H3,(H,25,26,27)(H,28,29,30)/b3-2+