2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxycarbonylbenzoic acid; rhodium

Systemtic Name: 2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxycarbonylbenzoic acid; rhodium Openeye Name: 2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]carbonylbenzoic acid; rhodium CAS Name: 2-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxomethyl]benzoic acid; rhodium IUPAC Name: 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylbenzoic acid; rhodium Traditional Name: 2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]carbonylbenzoic acid; rhodium Formula: C72H96O16Rh2 MolecularWeight: 1423.33404

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC=CC=C2C(=O)O)C(C)C.CC1CCC(C(C1)OC(=O)C2=CC=CC=C2C(=O)O)C(C)C.CC1CCC(C(C1)OC(=O)C2=CC=CC=C2C(=O)O)C(C)C.CC1CCC(C(C1)OC(=O)C2=CC=CC=C2C(=O)O)C(C)C.[Rh].[Rh]

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)C2=CC=CC=C2C(=O)O)C(C)C.C[C@H]1CC[C@@H]([C@H](C1)OC(=O)C2=CC=CC=C2C(=O)O)C(C)C.C[C@H]1CC[C@@H]([C@H](C1)OC(=O)C2=CC=CC=C2C(=O)O)C(C)C.C[C@H]1CC[C@@H]([C@H](C1)OC(=O)C2=CC=CC=C2C(=O)O)C(C)C.[Rh].[Rh]

InChI

InChI=1S/4C18H24O4.2Rh/c4*1-11(2)13-9-8-12(3)10-16(13)22-18(21)15-7-5-4-6-14(15)17(19)20;;/h4*4-7,11-13,16H,8-10H2,1-3H3,(H,19,20);;/t4*12-,13+,16-;;/m0000../s1