4-[1,5-bis(octadecylsulfanyl)-3-phosphonato-pentan-3-yl]-6-tert-butyl-2,3-dimethyl-phenol

Systemtic Name: 4-[1,5-bis(octadecylsulfanyl)-3-phosphonato-pentan-3-yl]-6-tert-butyl-2,3-dimethyl-phenol Openeye Name: 6-tert-butyl-2,3-dimethyl-4-[3-octadecylsulfanyl-1-(2-octadecylsulfanylethyl)-1-phosphonato-propyl]phenol CAS Name: 4-[1,5-bis(octadecylthio)-3-phosphonatopentan-3-yl]-6-tert-butyl-2,3-dimethylphenol IUPAC Name: 4-[1,5-bis(octadecylsulfanyl)-3-phosphonatopentan-3-yl]-6-tert-butyl-2,3-dimethylphenol Traditional Name: 6-tert-butyl-2,3-dimethyl-4-[1-phosphonato-3-(stearylthio)-1-[2-(stearylthio)ethyl]propyl]phenol Formula: C53H99O4PS2-2 MolecularWeight: 895.454521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCCC(CCSCCCCCCCCCCCCCCCCCC)(C1=CC(=C(C(=C1C)C)O)C(C)(C)C)P(=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCCC(CCSCCCCCCCCCCCCCCCCCC)(C1=CC(=C(C(=C1C)C)O)C(C)(C)C)P(=O)([O-])[O-]

InChI

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