[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine; 2-(3-chlorophenyl)-5-methyl-4-[(5-methylsulfonyl-2-oxidanidyl-phenyl)diazenyl]pyrazol-3-olate; cobalt(3+); hydron

Systemtic Name: [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine; 2-(3-chlorophenyl)-5-methyl-4-[(5-methylsulfonyl-2-oxidanidyl-phenyl)diazenyl]pyrazol-3-olate; cobalt(3+); hydron Openeye Name: cobaltic; [(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine; 2-(3-chlorophenyl)-5-methyl-4-(5-methylsulfonyl-2-oxido-phenyl)azo-pyrazol-3-olate; hydron CAS Name: [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine; 2-(3-chlorophenyl)-5-methyl-4-(5-methylsulfonyl-2-oxidophenyl)azo-3-pyrazololate; cobalt(3+); hydron IUPAC Name: [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine; 2-(3-chlorophenyl)-5-methyl-4-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]pyrazol-3-olate; cobalt(3+); hydron Traditional Name: cobaltic; [(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methylamine; 2-(3-chlorophenyl)-4-(5-mesyl-2-oxido-phenyl)azo-5-methyl-pyrazol-3-olate; hydron Formula: C54H58Cl2CoN9O8S2 MolecularWeight: 1155.06302

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)C)[O-])[O-])C3=CC(=CC=C3)Cl.CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)C)[O-])[O-])C3=CC(=CC=C3)Cl.CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)C.[Co+3]

Isomeric SMILES

[H+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)C)[O-])[O-])C3=CC(=CC=C3)Cl.CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)C)[O-])[O-])C3=CC(=CC=C3)Cl.CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CN)C.[Co+3]

InChI

InChI=1S/C20H31N.2C17H15ClN4O4S.Co/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4;2*1-10-16(17(24)22(21-10)12-5-3-4-11(18)8-12)20-19-14-9-13(27(2,25)26)6-7-15(14)23;/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3;2*3-9,23-24H,1-2H3;/q;;;+3/p-3/t18-,19-,20+;;;/m0.../s1