icosyl 3-(5-icosoxycarbonyl-2-oxidanyl-phenyl)sulfonyl-4-oxidanyl-benzoate

Systemtic Name: icosyl 3-(5-icosoxycarbonyl-2-oxidanyl-phenyl)sulfonyl-4-oxidanyl-benzoate Openeye Name: icosyl 4-hydroxy-3-(2-hydroxy-5-icosoxycarbonyl-phenyl)sulfonyl-benzoate CAS Name: 3-[5-[eicosoxy(oxo)methyl]-2-hydroxyphenyl]sulfonyl-4-hydroxybenzoic acid eicosyl ester IUPAC Name: icosyl 4-hydroxy-3-(2-hydroxy-5-icosoxycarbonylphenyl)sulfonylbenzoate Traditional Name: 3-(5-arachyloxycarbonyl-2-hydroxy-phenyl)sulfonyl-4-hydroxy-benzoic acid arachyl ester Formula: C54H90O8S MolecularWeight: 899.3526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)O)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCCCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)O)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCCCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C54H90O8S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43-61-53(57)47-39-41-49(55)51(45-47)63(59,60)52-46-48(40-42-50(52)56)54(58)62-44-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-42,45-46,55-56H,3-38,43-44H2,1-2H3