1,2-Bis[(2R,5R)-2,5-diethylphospholano]benzene(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate

Catalog Number

ACM136705776-2

CAS

136705-77-6

Structure

Synonyms

(1Z,5Z)-Cycloocta-1,5-diene;(2R,5R)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;rhodium;trifluoromethanesulfonate

Molecular Weight

722.6

Molecular Formula

C31H48F3O3P2RhS

Canonical SMILES

CCC1CCC(P1C2=CC=CC=C2P3C(CCC3CC)CC)CC.C1CC=CCCC=C1.C(F)(F)(F)S(=O)(=O)[O-].[Rh]

InChI

InChI=1S/C22H36P2.C8H12.CHF3O3S.Rh/c1-5-17-13-14-18(6-2)23(17)21-11-9-10-12-22(21)24-19(7-3)15-16-20(24)8-4;1-2-4-6-8-7-5-3-1;2-1(3,4)8(5,6)7;/h9-12,17-20H,5-8,13-16H2,1-4H3;1-2,7-8H,3-6H2;(H,5,6,7);/p-1/b;2-1-,8-7-;/t17-,18-,19-,20-;/m1/s1

InChI Key

XGPXBCKGQLCHDW-KYOOHHHUSA-M

Purity

98%

Appearance

Crystal

Empirical Formula

C31H48F3O3P2RhS

Exact Mass

722.18064

MDL Number

MFCD00269860

Monoisotopic Mass

722.18064

Topological Polar Surface Area

65.6 Ų

• Catalog Number: ACM136705776-2
• CAS: 136705-77-6
• Synonyms: (1Z,5Z)-Cycloocta-1,5-diene;(2R,5R)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;rhodium;trifluoromethanesulfonate
• Molecular Weight: 722.6
• Molecular Formula: C31H48F3O3P2RhS
• Canonical SMILES: CCC1CCC(P1C2=CC=CC=C2P3C(CCC3CC)CC)CC.C1CC=CCCC=C1.C(F)(F)(F)S(=O)(=O)[O-].[Rh]
• InChI: InChI=1S/C22H36P2.C8H12.CHF3O3S.Rh/c1-5-17-13-14-18(6-2)23(17)21-11-9-10-12-22(21)24-19(7-3)15-16-20(24)8-4;1-2-4-6-8-7-5-3-1;2-1(3,4)8(5,6)7;/h9-12,17-20H,5-8,13-16H2,1-4H3;1-2,7-8H,3-6H2;(H,5,6,7);/p-1/b;2-1-,8-7-;/t17-,18-,19-,20-;/m1/s1
• InChI Key: XGPXBCKGQLCHDW-KYOOHHHUSA-M
• Purity: 98%
• Appearance: Crystal
• Empirical Formula: C31H48F3O3P2RhS
• Exact Mass: 722.18064
• MDL Number: MFCD00269860
• Monoisotopic Mass: 722.18064
• Topological Polar Surface Area: 65.6 Ų