tetracosyl 4-oxidanyl-3-(2-oxidanyl-5-tetracosoxycarbonyl-phenyl)sulfonyl-benzoate

Systemtic Name: tetracosyl 4-oxidanyl-3-(2-oxidanyl-5-tetracosoxycarbonyl-phenyl)sulfonyl-benzoate Openeye Name: tetracosyl 4-hydroxy-3-(2-hydroxy-5-tetracosoxycarbonyl-phenyl)sulfonyl-benzoate CAS Name: 4-hydroxy-3-[2-hydroxy-5-[oxo(tetracosoxy)methyl]phenyl]sulfonylbenzoic acid tetracosyl ester IUPAC Name: tetracosyl 4-hydroxy-3-(2-hydroxy-5-tetracosoxycarbonylphenyl)sulfonylbenzoate Traditional Name: 4-hydroxy-3-(2-hydroxy-5-lignoceryloxycarbonyl-phenyl)sulfonyl-benzoic acid lignoceryl ester Formula: C62H106O8S MolecularWeight: 1011.56524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)O)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCCCCCCCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)O)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCCCCCCCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C62H106O8S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-51-69-61(65)55-47-49-57(63)59(53-55)71(67,68)60-54-56(48-50-58(60)64)62(66)70-52-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h47-50,53-54,63-64H,3-46,51-52H2,1-2H3