(2-azanidylcyclohexyl)azanide; 2-[(E)-(3-bromanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-bromanyl-4-oxidanyl-phenyl)methyl]benzenesulfonate; platinum(4+)

Systemtic Name: (2-azanidylcyclohexyl)azanide; 2-[(E)-(3-bromanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-bromanyl-4-oxidanyl-phenyl)methyl]benzenesulfonate; platinum(4+) Openeye Name: (2-azanidylcyclohexyl)azanide; 2-[(E)-(3-bromo-4-hydroxy-phenyl)-(3-bromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate; platinum(4+) CAS Name: (2-azanidylcyclohexyl)azanide; 2-[(E)-(3-bromo-4-hydroxyphenyl)-(3-bromo-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzenesulfonate; platinum(4+) IUPAC Name: (2-azanidylcyclohexyl)azanide; 2-[(E)-(3-bromo-4-hydroxyphenyl)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate; platinum(4+) Traditional Name: (2-amidylcyclohexyl)azanide; 2-[(E)-(3-bromo-4-hydroxy-phenyl)-(3-bromo-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]besylate; platinum(4+) Formula: C44H34Br4N2O10PtS2 MolecularWeight: 1329.57216

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)[NH-])[NH-].C1=CC=C(C(=C1)C(=C2C=CC(=O)C(=C2)Br)C3=CC(=C(C=C3)O)Br)S(=O)(=O)[O-].C1=CC=C(C(=C1)C(=C2C=CC(=O)C(=C2)Br)C3=CC(=C(C=C3)O)Br)S(=O)(=O)[O-].[Pt+4]

Isomeric SMILES

C1CC(C(CC1)[NH-])[NH-].C1=CC=C(C(=C1)/C(=C\2/C=C(C(=O)C=C2)Br)/C3=CC(=C(C=C3)O)Br)S(=O)(=O)[O-].C1=CC=C(C(=C1)/C(=C\2/C=C(C(=O)C=C2)Br)/C3=CC(=C(C=C3)O)Br)S(=O)(=O)[O-].[Pt+4]

InChI

InChI=1S/2C19H12Br2O5S.C6H12N2.Pt/c2*20-14-9-11(5-7-16(14)22)19(12-6-8-17(23)15(21)10-12)13-3-1-2-4-18(13)27(24,25)26;7-5-3-1-2-4-6(5)8;/h2*1-10,22H,(H,24,25,26);5-8H,1-4H2;/q;;-2;+4/p-2/b2*19-12+;;