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

Systemtic Name: octadecyl 3,5-ditert-butyl-4-[chloranyl-(2,6-ditert-butyl-4-octadecoxycarbonyl-phenoxy)phosphanyl]oxy-benzoate Openeye Name: octadecyl 3,5-ditert-butyl-4-[chloro-(2,6-ditert-butyl-4-octadecoxycarbonyl-phenoxy)phosphanyl]oxy-benzoate CAS Name: 3,5-ditert-butyl-4-[chloro-[2,6-ditert-butyl-4-[octadecoxy(oxo)methyl]phenoxy]phosphino]oxybenzoic acid octadecyl ester IUPAC Name: octadecyl 3,5-ditert-butyl-4-[chloro-(2,6-ditert-butyl-4-octadecoxycarbonylphenoxy)phosphanyl]oxybenzoate Traditional Name: 3,5-ditert-butyl-4-[chloro-(2,6-ditert-butyl-4-stearyloxycarbonyl-phenoxy)phosphino]oxy-benzoic acid stearyl ester Formula: C66H114ClO6P MolecularWeight: 1070.034521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)C(C)(C)C)OP(OC2=C(C=C(C=C2C(C)(C)C)C(=O)OCCCCCCCCCCCCCCCCCC)C(C)(C)C)Cl)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)C(C)(C)C)OP(OC2=C(C=C(C=C2C(C)(C)C)C(=O)OCCCCCCCCCCCCCCCCCC)C(C)(C)C)Cl)C(C)(C)C

InChI

InChI=1S/C66H114ClO6P/c1-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-70-61(68)53-49-55(63(3,4)5)59(56(50-53)64(6,7)8)72-74(67)73-60-57(65(9,10)11)51-54(52-58(60)66(12,13)14)62(69)71-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-2/h49-52H,15-48H2,1-14H3