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

Systemtic Name: octadecyl 2-[(3,5-dimethyl-4-oxidanyl-phenyl)methylsulfanyl]ethanoate Openeye Name: octadecyl 2-[(4-hydroxy-3,5-dimethyl-phenyl)methylsulfanyl]acetate CAS Name: 2-[(4-hydroxy-3,5-dimethylphenyl)methylthio]acetic acid octadecyl ester IUPAC Name: octadecyl 2-[(4-hydroxy-3,5-dimethylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-hydroxy-3,5-dimethyl-benzyl)thio]acetic acid stearyl ester Formula: C29H50O3S MolecularWeight: 478.7705

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CSCC1=CC(=C(C(=C1)C)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CSCC1=CC(=C(C(=C1)C)O)C

InChI

InChI=1S/C29H50O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-32-28(30)24-33-23-27-21-25(2)29(31)26(3)22-27/h21-22,31H,4-20,23-24H2,1-3H3