octadecyl 3-[4-bis[2-tert-butyl-4-(3-octadecoxy-3-oxidanylidene-propyl)phenoxy]phosphanyloxy-3-tert-butyl-phenyl]propanoate

Systemtic Name: octadecyl 3-[4-bis[2-tert-butyl-4-(3-octadecoxy-3-oxidanylidene-propyl)phenoxy]phosphanyloxy-3-tert-butyl-phenyl]propanoate Openeye Name: octadecyl 3-[4-bis[2-tert-butyl-4-(3-octadecoxy-3-oxo-propyl)phenoxy]phosphanyloxy-3-tert-butyl-phenyl]propanoate CAS Name: 3-[4-bis[2-tert-butyl-4-(3-octadecoxy-3-oxopropyl)phenoxy]phosphinooxy-3-tert-butylphenyl]propanoic acid octadecyl ester IUPAC Name: octadecyl 3-[4-bis[2-tert-butyl-4-(3-octadecoxy-3-oxopropyl)phenoxy]phosphanyloxy-3-tert-butylphenyl]propanoate Traditional Name: 3-[4-bis[2-tert-butyl-4-(3-keto-3-stearyloxy-propyl)phenoxy]phosphinooxy-3-tert-butyl-phenyl]propionic acid stearyl ester Formula: C93H159O9P MolecularWeight: 1452.225921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC(=C(C=C1)OP(OC2=C(C=C(C=C2)CCC(=O)OCCCCCCCCCCCCCCCCCC)C(C)(C)C)OC3=C(C=C(C=C3)CCC(=O)OCCCCCCCCCCCCCCCCCC)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC(=C(C=C1)OP(OC2=C(C=C(C=C2)CCC(=O)OCCCCCCCCCCCCCCCCCC)C(C)(C)C)OC3=C(C=C(C=C3)CCC(=O)OCCCCCCCCCCCCCCCCCC)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C93H159O9P/c1-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-73-97-88(94)70-64-79-61-67-85(82(76-79)91(4,5)6)100-103(101-86-68-62-80(77-83(86)92(7,8)9)65-71-89(95)98-74-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-2)102-87-69-63-81(78-84(87)93(10,11)12)66-72-90(96)99-75-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-3/h61-63,67-69,76-78H,13-60,64-66,70-75H2,1-12H3