3-[bis(2-octadecylsulfanylethoxy)phosphorylmethyl]-6-tert-butyl-2,4-dimethyl-phenol

Systemtic Name: 3-[bis(2-octadecylsulfanylethoxy)phosphorylmethyl]-6-tert-butyl-2,4-dimethyl-phenol Openeye Name: 3-[bis(2-octadecylsulfanylethoxy)phosphorylmethyl]-6-tert-butyl-2,4-dimethyl-phenol CAS Name: 3-[bis[2-(octadecylthio)ethoxy]phosphorylmethyl]-6-tert-butyl-2,4-dimethylphenol IUPAC Name: 3-[bis(2-octadecylsulfanylethoxy)phosphorylmethyl]-6-tert-butyl-2,4-dimethylphenol Traditional Name: 3-[bis[2-(stearylthio)ethoxy]phosphorylmethyl]-6-tert-butyl-2,4-dimethyl-phenol Formula: C53H101O4PS2 MolecularWeight: 897.470401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCCOP(=O)(CC1=C(C(=C(C=C1C)C(C)(C)C)O)C)OCCSCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCCOP(=O)(CC1=C(C(=C(C=C1C)C(C)(C)C)O)C)OCCSCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C53H101O4PS2/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-42-59-44-40-56-58(55,47-50-48(3)46-51(53(5,6)7)52(54)49(50)4)57-41-45-60-43-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-2/h46,54H,8-45,47H2,1-7H3