hexyl 3,5-ditert-butyl-4-[chloranyl-(2,6-ditert-butyl-4-hexoxycarbonyl-phenoxy)phosphanyl]oxy-benzoate

Systemtic Name: hexyl 3,5-ditert-butyl-4-[chloranyl-(2,6-ditert-butyl-4-hexoxycarbonyl-phenoxy)phosphanyl]oxy-benzoate Openeye Name: hexyl 3,5-ditert-butyl-4-[chloro-(2,6-ditert-butyl-4-hexoxycarbonyl-phenoxy)phosphanyl]oxy-benzoate CAS Name: 3,5-ditert-butyl-4-[chloro-[2,6-ditert-butyl-4-[hexoxy(oxo)methyl]phenoxy]phosphino]oxybenzoic acid hexyl ester IUPAC Name: hexyl 3,5-ditert-butyl-4-[chloro-(2,6-ditert-butyl-4-hexoxycarbonylphenoxy)phosphanyl]oxybenzoate Traditional Name: 3,5-ditert-butyl-4-[chloro-(2,6-ditert-butyl-4-hexoxycarbonyl-phenoxy)phosphino]oxy-benzoic acid hexyl ester Formula: C42H66ClO6P MolecularWeight: 733.396601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC(=C(C(=C1)C(C)(C)C)OP(OC2=C(C=C(C=C2C(C)(C)C)C(=O)OCCCCCC)C(C)(C)C)Cl)C(C)(C)C

Isomeric SMILES

CCCCCCOC(=O)C1=CC(=C(C(=C1)C(C)(C)C)OP(OC2=C(C=C(C=C2C(C)(C)C)C(=O)OCCCCCC)C(C)(C)C)Cl)C(C)(C)C

InChI

InChI=1S/C42H66ClO6P/c1-15-17-19-21-23-46-37(44)29-25-31(39(3,4)5)35(32(26-29)40(6,7)8)48-50(43)49-36-33(41(9,10)11)27-30(28-34(36)42(12,13)14)38(45)47-24-22-20-18-16-2/h25-28H,15-24H2,1-14H3