cyclohexanamine; 4-(3-methyl-5-oxidanylidene-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonic acid

Systemtic Name: cyclohexanamine; 4-(3-methyl-5-oxidanylidene-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonic acid Openeye Name: cyclohexanamine; 4-(3-methyl-5-oxo-4-phenylazo-4H-pyrazol-1-yl)benzenesulfonic acid CAS Name: cyclohexanamine; 4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonic acid IUPAC Name: cyclohexanamine; 4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonic acid Traditional Name: cyclohexylamine; 4-(5-keto-3-methyl-4-phenylazo-2-pyrazolin-1-yl)besylic acid Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O.C1CCC(CC1)N

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O.C1CCC(CC1)N

InChI

InChI=1S/C16H14N4O4S.C6H13N/c1-11-15(18-17-12-5-3-2-4-6-12)16(21)20(19-11)13-7-9-14(10-8-13)25(22,23)24;7-6-4-2-1-3-5-6/h2-10,15H,1H3,(H,22,23,24);6H,1-5,7H2