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

Systemtic Name: tridecyl 3-[4-bis[2-tert-butyl-4-(3-oxidanylidene-3-tridecoxy-propyl)phenoxy]phosphanyloxy-3-tert-butyl-phenyl]propanoate Openeye Name: tridecyl 3-[4-bis[2-tert-butyl-4-(3-oxo-3-tridecoxy-propyl)phenoxy]phosphanyloxy-3-tert-butyl-phenyl]propanoate CAS Name: 3-[4-bis[2-tert-butyl-4-(3-oxo-3-tridecoxypropyl)phenoxy]phosphinooxy-3-tert-butylphenyl]propanoic acid tridecyl ester IUPAC Name: tridecyl 3-[4-bis[2-tert-butyl-4-(3-oxo-3-tridecoxypropyl)phenoxy]phosphanyloxy-3-tert-butylphenyl]propanoate Traditional Name: 3-[4-bis[2-tert-butyl-4-(3-keto-3-tridecoxy-propyl)phenoxy]phosphinooxy-3-tert-butyl-phenyl]propionic acid tridecyl ester Formula: C78H129O9P MolecularWeight: 1241.827221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)CCC1=CC(=C(C=C1)OP(OC2=C(C=C(C=C2)CCC(=O)OCCCCCCCCCCCCC)C(C)(C)C)OC3=C(C=C(C=C3)CCC(=O)OCCCCCCCCCCCCC)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)CCC1=CC(=C(C=C1)OP(OC2=C(C=C(C=C2)CCC(=O)OCCCCCCCCCCCCC)C(C)(C)C)OC3=C(C=C(C=C3)CCC(=O)OCCCCCCCCCCCCC)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C78H129O9P/c1-13-16-19-22-25-28-31-34-37-40-43-58-82-73(79)55-49-64-46-52-70(67(61-64)76(4,5)6)85-88(86-71-53-47-65(62-68(71)77(7,8)9)50-56-74(80)83-59-44-41-38-35-32-29-26-23-20-17-14-2)87-72-54-48-66(63-69(72)78(10,11)12)51-57-75(81)84-60-45-42-39-36-33-30-27-24-21-18-15-3/h46-48,52-54,61-63H,13-45,49-51,55-60H2,1-12H3