octadecyl 2-[(3,5-dimethyl-4-oxidanyl-phenyl)methylsulfanyl]-2-oxidanyl-ethanoate

Systemtic Name: octadecyl 2-[(3,5-dimethyl-4-oxidanyl-phenyl)methylsulfanyl]-2-oxidanyl-ethanoate Openeye Name: octadecyl 2-hydroxy-2-[(4-hydroxy-3,5-dimethyl-phenyl)methylsulfanyl]acetate CAS Name: 2-hydroxy-2-[(4-hydroxy-3,5-dimethylphenyl)methylthio]acetic acid octadecyl ester IUPAC Name: octadecyl 2-hydroxy-2-[(4-hydroxy-3,5-dimethylphenyl)methylsulfanyl]acetate Traditional Name: 2-hydroxy-2-[(4-hydroxy-3,5-dimethyl-benzyl)thio]acetic acid stearyl ester Formula: C29H50O4S MolecularWeight: 494.7699

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(O)SCC1=CC(=C(C(=C1)C)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(O)SCC1=CC(=C(C(=C1)C)O)C

InChI

InChI=1S/C29H50O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33-28(31)29(32)34-23-26-21-24(2)27(30)25(3)22-26/h21-22,29-30,32H,4-20,23H2,1-3H3