methyl 3-[3-[(3-tert-butyl-4-oxidanyl-octyl)sulfanylmethyl]phenyl]propanoate

Systemtic Name: methyl 3-[3-[(3-tert-butyl-4-oxidanyl-octyl)sulfanylmethyl]phenyl]propanoate Openeye Name: methyl 3-[3-[(3-tert-butyl-4-hydroxy-octyl)sulfanylmethyl]phenyl]propanoate CAS Name: 3-[3-[[(3-tert-butyl-4-hydroxyoctyl)thio]methyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[(3-tert-butyl-4-hydroxyoctyl)sulfanylmethyl]phenyl]propanoate Traditional Name: 3-[3-[[(3-tert-butyl-4-hydroxy-octyl)thio]methyl]phenyl]propionic acid methyl ester Formula: C23H38O3S MolecularWeight: 394.61102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CCSCC1=CC=CC(=C1)CCC(=O)OC)C(C)(C)C)O

Isomeric SMILES

CCCCC(C(CCSCC1=CC=CC(=C1)CCC(=O)OC)C(C)(C)C)O

InChI

InChI=1S/C23H38O3S/c1-6-7-11-21(24)20(23(2,3)4)14-15-27-17-19-10-8-9-18(16-19)12-13-22(25)26-5/h8-10,16,20-21,24H,6-7,11-15,17H2,1-5H3