hexacosyl 3-(5-hexacosoxycarbonyl-2-oxidanyl-phenyl)sulfanyl-4-oxidanyl-benzoate

Systemtic Name: hexacosyl 3-(5-hexacosoxycarbonyl-2-oxidanyl-phenyl)sulfanyl-4-oxidanyl-benzoate Openeye Name: hexacosyl 3-(5-hexacosoxycarbonyl-2-hydroxy-phenyl)sulfanyl-4-hydroxy-benzoate CAS Name: 3-[[5-[hexacosoxy(oxo)methyl]-2-hydroxyphenyl]thio]-4-hydroxybenzoic acid hexacosyl ester IUPAC Name: hexacosyl 3-(5-hexacosoxycarbonyl-2-hydroxyphenyl)sulfanyl-4-hydroxybenzoate Traditional Name: 3-[(5-hexacosoxycarbonyl-2-hydroxy-phenyl)thio]-4-hydroxy-benzoic acid hexacosyl ester Formula: C66H114O6S MolecularWeight: 1035.67276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C66H114O6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-55-71-65(69)59-51-53-61(67)63(57-59)73-64-58-60(52-54-62(64)68)66(70)72-56-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h51-54,57-58,67-68H,3-50,55-56H2,1-2H3