docosyl 3-(5-docosoxycarbonyl-2-oxidanyl-phenyl)sulfanyl-4-oxidanyl-benzoate

Systemtic Name: docosyl 3-(5-docosoxycarbonyl-2-oxidanyl-phenyl)sulfanyl-4-oxidanyl-benzoate Openeye Name: docosyl 3-(5-docosoxycarbonyl-2-hydroxy-phenyl)sulfanyl-4-hydroxy-benzoate CAS Name: 3-[[5-[docosoxy(oxo)methyl]-2-hydroxyphenyl]thio]-4-hydroxybenzoic acid docosyl ester IUPAC Name: docosyl 3-(5-docosoxycarbonyl-2-hydroxyphenyl)sulfanyl-4-hydroxybenzoate Traditional Name: 3-[(5-behenyloxycarbonyl-2-hydroxy-phenyl)thio]-4-hydroxy-benzoic acid behenyl ester Formula: C58H98O6S MolecularWeight: 923.46012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OCCCCCCCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OCCCCCCCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C58H98O6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-47-63-57(61)51-43-45-53(59)55(49-51)65-56-50-52(44-46-54(56)60)58(62)64-48-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43-46,49-50,59-60H,3-42,47-48H2,1-2H3