2-sulfanylpropyl 2-[4-oxidanyl-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]propanoate

Systemtic Name: 2-sulfanylpropyl 2-[4-oxidanyl-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]propanoate Openeye Name: 2-sulfanylpropyl 2-[4-hydroxy-3,5-bis(1,1,3,3-tetramethylbutyl)phenyl]propanoate CAS Name: 2-[4-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]propanoic acid 2-mercaptopropyl ester IUPAC Name: 2-sulfanylpropyl 2-[4-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]propanoate Traditional Name: 2-[4-hydroxy-3,5-bis(1,1,3,3-tetramethylbutyl)phenyl]propionic acid 2-mercaptopropyl ester Formula: C28H48O3S MolecularWeight: 464.74392

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C(C)C1=CC(=C(C(=C1)C(C)(C)CC(C)(C)C)O)C(C)(C)CC(C)(C)C)S

Isomeric SMILES

CC(COC(=O)C(C)C1=CC(=C(C(=C1)C(C)(C)CC(C)(C)C)O)C(C)(C)CC(C)(C)C)S

InChI

InChI=1S/C28H48O3S/c1-18(32)15-31-24(30)19(2)20-13-21(27(9,10)16-25(3,4)5)23(29)22(14-20)28(11,12)17-26(6,7)8/h13-14,18-19,29,32H,15-17H2,1-12H3