Synonyms
(1S)-1-(4-Bromophenyl)-2,2-diphenylcyclopropane-1-carboxylic acid;rhodium
IUPAC Name
(1S)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylic acid;rhodium;
Molecular Weight
1774.87
Molecular Formula
C88H64Br4O8Rh2
Canonical SMILES
C1C(C1(C2=CC=C(C=C2)Br)C(=O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4.C1C(C1(C2=CC=C(C=C2)Br)C(=O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4.C1C(C1(C2=CC=C(C=C2)Br)C(=O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4.C1C(C1(C2=CC=C(C=C2)Br)C(=O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4.[Rh+2].[Rh+2]
InChI
InChI=1S/4C22H17BrO2.2Rh/c4*23-19-13-11-18(12-14-19)22(20(24)25)15-21(22,16-7-3-1-4-8-16)17-9-5-2-6-10-17;/h4*1-14H,15H2,(H,24,25);/q;2*+2/p-4/t4*22-;/m1/s1
InChI Key
AUKMNKVXIVVWIG-MSZWWGBCSA-J
Purity
98%+
Appearance
Green solid
Complexity
2220
Covalently-Bonded Unit Count
6
Defined Atom Stereocenter Count
4
Exact Mass
1773.94036
H-Bond Acceptor
8
H-Bond Donor
4
Heavy Atom Count
102
Isomeric SMILES
C1[C@@](C1(C2=CC=CC=C2)C3=CC=CC=C3)(C4=CC=C(C=C4)Br)C(=O)[O-].C1[C@@](C1(C2=CC=CC=C2)C3=CC=CC=C3)(C4=CC=C(C=C4)Br)C(=O)[O-].C1[C@@](C1(C2=CC=CC=C2)C3=CC=CC=C3)(C4=CC=C(C=C4)Br)C(=O)[O-].C1[C@@](C1(C2=CC=CC=C2)C3=CC=CC=C3)(C4=CC=C(C=C4)Br)C(=O)[O-].[Rh+2].[Rh+2]
Monoisotopic Mass
1769.94446
Rotatable Bond Count
16
Topological Polar Surface Area
161 Ų
