tert-butyl 2-(4-methylphenyl)sulfinyl-5-(oxan-2-yloxy)-3-oxidanyl-hexadecanoate

Systemtic Name: tert-butyl 2-(4-methylphenyl)sulfinyl-5-(oxan-2-yloxy)-3-oxidanyl-hexadecanoate Openeye Name: tert-butyl 3-hydroxy-2-(p-tolylsulfinyl)-5-tetrahydropyran-2-yloxy-hexadecanoate CAS Name: 3-hydroxy-2-(4-methylphenyl)sulfinyl-5-(2-oxanyloxy)hexadecanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-hydroxy-2-(4-methylphenyl)sulfinyl-5-(oxan-2-yloxy)hexadecanoate Traditional Name: 3-hydroxy-2-(p-tolylsulfinyl)-5-tetrahydropyran-2-yloxy-palmitic acid tert-butyl ester Formula: C32H54O6S MolecularWeight: 566.83256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(C(C(=O)OC(C)(C)C)S(=O)C1=CC=C(C=C1)C)O)OC2CCCCO2

Isomeric SMILES

CCCCCCCCCCCC(CC(C(C(=O)OC(C)(C)C)S(=O)C1=CC=C(C=C1)C)O)OC2CCCCO2

InChI

InChI=1S/C32H54O6S/c1-6-7-8-9-10-11-12-13-14-17-26(37-29-18-15-16-23-36-29)24-28(33)30(31(34)38-32(3,4)5)39(35)27-21-19-25(2)20-22-27/h19-22,26,28-30,33H,6-18,23-24H2,1-5H3