4-[(5-chloranyl-2-oxidanidyl-4-sulfamoyl-phenyl)diazenyl]-5-methyl-2-phenyl-pyrazol-3-olate; chromium(3+); hexane-1,6-diamine; hydron

Systemtic Name: 4-[(5-chloranyl-2-oxidanidyl-4-sulfamoyl-phenyl)diazenyl]-5-methyl-2-phenyl-pyrazol-3-olate; chromium(3+); hexane-1,6-diamine; hydron Openeye Name: chromic; 4-(5-chloro-2-oxido-4-sulfamoyl-phenyl)azo-5-methyl-2-phenyl-pyrazol-3-olate; hexane-1,6-diamine; hydron CAS Name: 4-(5-chloro-2-oxido-4-sulfamoylphenyl)azo-5-methyl-2-phenyl-3-pyrazololate; chromium(3+); hexane-1,6-diamine; hydron IUPAC Name: 4-[(5-chloro-2-oxido-4-sulfamoylphenyl)diazenyl]-5-methyl-2-phenylpyrazol-3-olate; chromium(3+); hexane-1,6-diamine; hydron Traditional Name: chromic; 6-aminohexylamine; 4-(5-chloro-2-oxido-4-sulfamoyl-phenyl)azo-5-methyl-2-phenyl-pyrazol-3-olate; hydron Formula: C38H41Cl2CrN12O8S2 MolecularWeight: 980.83984

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])S(=O)(=O)N)Cl)[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])S(=O)(=O)N)Cl)[O-])C3=CC=CC=C3.C(CCCN)CCN.[Cr+3]

Isomeric SMILES

[H+].CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])S(=O)(=O)N)Cl)[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])S(=O)(=O)N)Cl)[O-])C3=CC=CC=C3.C(CCCN)CCN.[Cr+3]

InChI

InChI=1S/2C16H14ClN5O4S.C6H16N2.Cr/c2*1-9-15(16(24)22(21-9)10-5-3-2-4-6-10)20-19-12-7-11(17)14(8-13(12)23)27(18,25)26;7-5-3-1-2-4-6-8;/h2*2-8,23-24H,1H3,(H2,18,25,26);1-8H2;/q;;;+3/p-3