2-ethylhexyl 2-[3,5-bis[2-(2-ethylhexoxy)-1-methylsulfanyl-2-oxidanylidene-ethyl]-4-oxidanyl-phenyl]-2-methylsulfanyl-ethanoate

Systemtic Name: 2-ethylhexyl 2-[3,5-bis[2-(2-ethylhexoxy)-1-methylsulfanyl-2-oxidanylidene-ethyl]-4-oxidanyl-phenyl]-2-methylsulfanyl-ethanoate Openeye Name: 2-ethylhexyl 2-[3,5-bis[2-(2-ethylhexoxy)-1-methylsulfanyl-2-oxo-ethyl]-4-hydroxy-phenyl]-2-methylsulfanyl-acetate CAS Name: 2-[3,5-bis[2-(2-ethylhexoxy)-1-(methylthio)-2-oxoethyl]-4-hydroxyphenyl]-2-(methylthio)acetic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 2-[3,5-bis[2-(2-ethylhexoxy)-1-methylsulfanyl-2-oxoethyl]-4-hydroxyphenyl]-2-methylsulfanylacetate Traditional Name: 2-[3,5-bis[2-(2-ethylhexoxy)-2-keto-1-(methylthio)ethyl]-4-hydroxy-phenyl]-2-(methylthio)acetic acid 2-ethylhexyl ester Formula: C39H66O7S3 MolecularWeight: 743.13214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C(C1=CC(=C(C(=C1)C(C(=O)OCC(CC)CCCC)SC)O)C(C(=O)OCC(CC)CCCC)SC)SC

Isomeric SMILES

CCCCC(CC)COC(=O)C(C1=CC(=C(C(=C1)C(C(=O)OCC(CC)CCCC)SC)O)C(C(=O)OCC(CC)CCCC)SC)SC

InChI

InChI=1S/C39H66O7S3/c1-10-16-19-27(13-4)24-44-37(41)34(47-7)30-22-31(35(48-8)38(42)45-25-28(14-5)20-17-11-2)33(40)32(23-30)36(49-9)39(43)46-26-29(15-6)21-18-12-3/h22-23,27-29,34-36,40H,10-21,24-26H2,1-9H3