chloranium; bis(chloranyl)rhodium; (5-methyl-1-oxidanyl-2-propan-2-yl-cyclohexyl)methyl-diphenyl-phosphanium; hydrate

Systemtic Name: chloranium; bis(chloranyl)rhodium; (5-methyl-1-oxidanyl-2-propan-2-yl-cyclohexyl)methyl-diphenyl-phosphanium; hydrate Openeye Name: chloronium; dichlororhodium; (1-hydroxy-2-isopropyl-5-methyl-cyclohexyl)methyl-diphenyl-phosphonium; hydrate CAS Name: chloronium; dichlororhodium; (1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl)methyl-diphenylphosphonium; hydrate IUPAC Name: chloranium; dichlororhodium; (1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl)methyl-diphenylphosphanium; hydrate Traditional Name: chloronium; dichlororhodium; (1-hydroxy-2-isopropyl-5-methyl-cyclohexyl)methyl-diphenyl-phosphonium; hydrate Formula: C46H68Cl5O3P2Rh2+3 MolecularWeight: 1114.053842

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)(C[PH+](C2=CC=CC=C2)C3=CC=CC=C3)O)C(C)C.CC1CCC(C(C1)(C[PH+](C2=CC=CC=C2)C3=CC=CC=C3)O)C(C)C.O.[ClH2+].Cl[Rh]Cl.Cl[Rh]Cl

Isomeric SMILES

CC1CCC(C(C1)(C[PH+](C2=CC=CC=C2)C3=CC=CC=C3)O)C(C)C.CC1CCC(C(C1)(C[PH+](C2=CC=CC=C2)C3=CC=CC=C3)O)C(C)C.O.[ClH2+].Cl[Rh]Cl.Cl[Rh]Cl

InChI

InChI=1S/2C23H31OP.ClH2.4ClH.H2O.2Rh/c2*1-18(2)22-15-14-19(3)16-23(22,24)17-25(20-10-6-4-7-11-20)21-12-8-5-9-13-21;;;;;;;;/h2*4-13,18-19,22,24H,14-17H2,1-3H3;1H2;4*1H;1H2;;/q;;+1;;;;;;2*+2/p-2