octacosyl 3-(5-octacosoxycarbonyl-2-oxidanyl-phenyl)sulfanyl-4-oxidanyl-benzoate

Systemtic Name: octacosyl 3-(5-octacosoxycarbonyl-2-oxidanyl-phenyl)sulfanyl-4-oxidanyl-benzoate Openeye Name: octacosyl 4-hydroxy-3-(2-hydroxy-5-octacosoxycarbonyl-phenyl)sulfanyl-benzoate CAS Name: 4-hydroxy-3-[[2-hydroxy-5-[octacosoxy(oxo)methyl]phenyl]thio]benzoic acid octacosyl ester IUPAC Name: octacosyl 4-hydroxy-3-(2-hydroxy-5-octacosoxycarbonylphenyl)sulfanylbenzoate Traditional Name: 4-hydroxy-3-[(2-hydroxy-5-montanyloxycarbonyl-phenyl)thio]benzoic acid montanyl ester Formula: C70H122O6S MolecularWeight: 1091.77908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C70H122O6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-59-75-69(73)63-55-57-65(71)67(61-63)77-68-62-64(56-58-66(68)72)70(74)76-60-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h55-58,61-62,71-72H,3-54,59-60H2,1-2H3