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

Systemtic Name: octadecyl 2,4-ditert-butyl-3-[chloranyl-(2,6-ditert-butyl-3-octadecoxycarbonyl-4-pentyl-phenoxy)phosphanyl]oxy-6-pentyl-benzoate Openeye Name: octadecyl 2,4-ditert-butyl-3-[chloro-(2,6-ditert-butyl-3-octadecoxycarbonyl-4-pentyl-phenoxy)phosphanyl]oxy-6-pentyl-benzoate CAS Name: 2,4-ditert-butyl-3-[chloro-[2,6-ditert-butyl-3-[octadecoxy(oxo)methyl]-4-pentylphenoxy]phosphino]oxy-6-pentylbenzoic acid octadecyl ester IUPAC Name: octadecyl 2,4-ditert-butyl-3-[chloro-(2,6-ditert-butyl-3-octadecoxycarbonyl-4-pentylphenoxy)phosphanyl]oxy-6-pentylbenzoate Traditional Name: 6-amyl-3-[(4-amyl-2,6-ditert-butyl-3-stearyloxycarbonyl-phenoxy)-chloro-phosphino]oxy-2,4-ditert-butyl-benzoic acid stearyl ester Formula: C76H134ClO6P MolecularWeight: 1210.300321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=C(C(=C(C=C1CCCCC)C(C)(C)C)OP(OC2=C(C=C(C(=C2C(C)(C)C)C(=O)OCCCCCCCCCCCCCCCCCC)CCCCC)C(C)(C)C)Cl)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=C(C(=C(C=C1CCCCC)C(C)(C)C)OP(OC2=C(C=C(C(=C2C(C)(C)C)C(=O)OCCCCCCCCCCCCCCCCCC)CCCCC)C(C)(C)C)Cl)C(C)(C)C

InChI

InChI=1S/C76H134ClO6P/c1-17-21-25-27-29-31-33-35-37-39-41-43-45-47-49-53-57-80-71(78)65-61(55-51-23-19-3)59-63(73(5,6)7)69(67(65)75(11,12)13)82-84(77)83-70-64(74(8,9)10)60-62(56-52-24-20-4)66(68(70)76(14,15)16)72(79)81-58-54-50-48-46-44-42-40-38-36-34-32-30-28-26-22-18-2/h59-60H,17-58H2,1-16H3