methyl 2-[6-chloranyl-2-[3-chloranyl-2-cyclohexyloxy-6-(3,5-ditert-butylphenyl)phosphanyl-phenyl]-3-(3,5-ditert-butylphenyl)phosphanyl-phenoxy]ethanoate

Systemtic Name: methyl 2-[6-chloranyl-2-[3-chloranyl-2-cyclohexyloxy-6-(3,5-ditert-butylphenyl)phosphanyl-phenyl]-3-(3,5-ditert-butylphenyl)phosphanyl-phenoxy]ethanoate Openeye Name: methyl 2-[6-chloro-2-[3-chloro-2-(cyclohexoxy)-6-(3,5-ditert-butylphenyl)phosphanyl-phenyl]-3-(3,5-ditert-butylphenyl)phosphanyl-phenoxy]acetate CAS Name: 2-[6-chloro-2-[3-chloro-2-cyclohexyloxy-6-(3,5-ditert-butylphenyl)phosphinophenyl]-3-(3,5-ditert-butylphenyl)phosphinophenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[6-chloro-2-[3-chloro-2-cyclohexyloxy-6-(3,5-ditert-butylphenyl)phosphanylphenyl]-3-(3,5-ditert-butylphenyl)phosphanylphenoxy]acetate Traditional Name: 2-[6-chloro-2-[3-chloro-2-(cyclohexoxy)-6-(3,5-ditert-butylphenyl)phosphino-phenyl]-3-(3,5-ditert-butylphenyl)phosphino-phenoxy]acetic acid methyl ester Formula: C49H64Cl2O4P2 MolecularWeight: 849.883582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)PC2=C(C(=C(C=C2)Cl)OCC(=O)OC)C3=C(C=CC(=C3OC4CCCCC4)Cl)PC5=CC(=CC(=C5)C(C)(C)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)PC2=C(C(=C(C=C2)Cl)OCC(=O)OC)C3=C(C=CC(=C3OC4CCCCC4)Cl)PC5=CC(=CC(=C5)C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C49H64Cl2O4P2/c1-46(2,3)30-23-31(47(4,5)6)26-35(25-30)56-39-21-19-37(50)44(54-29-41(52)53-13)42(39)43-40(22-20-38(51)45(43)55-34-17-15-14-16-18-34)57-36-27-32(48(7,8)9)24-33(28-36)49(10,11)12/h19-28,34,56-57H,14-18,29H2,1-13H3