2-octadecylsulfanylethyl 3-(2,6-dimethyl-3-oxidanyl-4-propan-2-yl-phenyl)propanoate

Systemtic Name: 2-octadecylsulfanylethyl 3-(2,6-dimethyl-3-oxidanyl-4-propan-2-yl-phenyl)propanoate Openeye Name: 2-octadecylsulfanylethyl 3-(3-hydroxy-4-isopropyl-2,6-dimethyl-phenyl)propanoate CAS Name: 3-(3-hydroxy-2,6-dimethyl-4-propan-2-ylphenyl)propanoic acid 2-(octadecylthio)ethyl ester IUPAC Name: 2-octadecylsulfanylethyl 3-(3-hydroxy-2,6-dimethyl-4-propan-2-ylphenyl)propanoate Traditional Name: 3-(3-hydroxy-4-isopropyl-2,6-dimethyl-phenyl)propionic acid 2-(stearylthio)ethyl ester Formula: C34H60O3S MolecularWeight: 548.9034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H60O3S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-38-26-24-37-33(35)23-22-31-29(4)27-32(28(2)3)34(36)30(31)5/h27-28,36H,6-26H2,1-5H3