2-octadecylsulfanylethyl 3-(5-tert-butyl-2,3-dimethyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: 2-octadecylsulfanylethyl 3-(5-tert-butyl-2,3-dimethyl-4-oxidanyl-phenyl)propanoate Openeye Name: 2-octadecylsulfanylethyl 3-(5-tert-butyl-4-hydroxy-2,3-dimethyl-phenyl)propanoate CAS Name: 3-(5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)propanoic acid 2-(octadecylthio)ethyl ester IUPAC Name: 2-octadecylsulfanylethyl 3-(5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)propanoate Traditional Name: 3-(5-tert-butyl-4-hydroxy-2,3-dimethyl-phenyl)propionic acid 2-(stearylthio)ethyl ester Formula: C35H62O3S MolecularWeight: 562.92998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCCOC(=O)CCC1=CC(=C(C(=C1C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCCOC(=O)CCC1=CC(=C(C(=C1C)C)O)C(C)(C)C

InChI

InChI=1S/C35H62O3S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-39-27-25-38-33(36)24-23-31-28-32(35(4,5)6)34(37)30(3)29(31)2/h28,37H,7-27H2,1-6H3