[3-(5-tert-butyl-2,3-dimethyl-4-oxidanyl-phenyl)-1,5-bis(octadecylsulfanyl)pentan-3-yl]phosphonic acid

Systemtic Name: [3-(5-tert-butyl-2,3-dimethyl-4-oxidanyl-phenyl)-1,5-bis(octadecylsulfanyl)pentan-3-yl]phosphonic acid Openeye Name: [1-(5-tert-butyl-4-hydroxy-2,3-dimethyl-phenyl)-3-octadecylsulfanyl-1-(2-octadecylsulfanylethyl)propyl]phosphonic acid CAS Name: [3-(5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)-1,5-bis(octadecylthio)pentan-3-yl]phosphonic acid IUPAC Name: [3-(5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)-1,5-bis(octadecylsulfanyl)pentan-3-yl]phosphonic acid Traditional Name: [1-(5-tert-butyl-4-hydroxy-2,3-dimethyl-phenyl)-3-(stearylthio)-1-[2-(stearylthio)ethyl]propyl]phosphonic acid Formula: C53H101O4PS2 MolecularWeight: 897.470401

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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)