2-(4-chlorophenyl)-5-methyl-4-[[4-(methylsulfamoyl)-2-oxidanidyl-phenyl]diazenyl]pyrazol-3-olate; chromium(3+); N-cyclohexylcyclohexanamine; 2-ethylhexan-1-amine; hydron

Systemtic Name: 2-(4-chlorophenyl)-5-methyl-4-[[4-(methylsulfamoyl)-2-oxidanidyl-phenyl]diazenyl]pyrazol-3-olate; chromium(3+); N-cyclohexylcyclohexanamine; 2-ethylhexan-1-amine; hydron Openeye Name: chromic; 2-(4-chlorophenyl)-5-methyl-4-[4-(methylsulfamoyl)-2-oxido-phenyl]azo-pyrazol-3-olate; N-cyclohexylcyclohexanamine; 2-ethylhexan-1-amine; hydron CAS Name: 2-(4-chlorophenyl)-5-methyl-4-[4-(methylsulfamoyl)-2-oxidophenyl]azo-3-pyrazololate; chromium(3+); N-cyclohexylcyclohexanamine; 2-ethyl-1-hexanamine; hydron IUPAC Name: 2-(4-chlorophenyl)-5-methyl-4-[[4-(methylsulfamoyl)-2-oxidophenyl]diazenyl]pyrazol-3-olate; chromium(3+); N-cyclohexylcyclohexanamine; 2-ethylhexan-1-amine; hydron Traditional Name: chromic; 2-(4-chlorophenyl)-5-methyl-4-[4-(methylsulfamoyl)-2-oxido-phenyl]azo-pyrazol-3-olate; dicyclohexylamine; 2-ethylhexylamine; hydron Formula: C54H71Cl2CrN12O8S2 MolecularWeight: 1203.24924

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CCCCC(CC)CN.CC1=NN(C(=C1N=NC2=C(C=C(C=C2)S(=O)(=O)NC)[O-])[O-])C3=CC=C(C=C3)Cl.CC1=NN(C(=C1N=NC2=C(C=C(C=C2)S(=O)(=O)NC)[O-])[O-])C3=CC=C(C=C3)Cl.C1CCC(CC1)NC2CCCCC2.[Cr+3]

Isomeric SMILES

[H+].CCCCC(CC)CN.CC1=NN(C(=C1N=NC2=C(C=C(C=C2)S(=O)(=O)NC)[O-])[O-])C3=CC=C(C=C3)Cl.CC1=NN(C(=C1N=NC2=C(C=C(C=C2)S(=O)(=O)NC)[O-])[O-])C3=CC=C(C=C3)Cl.C1CCC(CC1)NC2CCCCC2.[Cr+3]

InChI

InChI=1S/2C17H16ClN5O4S.C12H23N.C8H19N.Cr/c2*1-10-16(17(25)23(22-10)12-5-3-11(18)4-6-12)21-20-14-8-7-13(9-15(14)24)28(26,27)19-2;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-5-6-8(4-2)7-9;/h2*3-9,19,24-25H,1-2H3;11-13H,1-10H2;8H,3-7,9H2,1-2H3;/q;;;;+3/p-3