methyl 5-[3-[2,4-bis(oxidanyl)pentylsulfanyl]phenyl]-5-methyl-hexanoate

Systemtic Name: methyl 5-[3-[2,4-bis(oxidanyl)pentylsulfanyl]phenyl]-5-methyl-hexanoate Openeye Name: methyl 5-[3-(2,4-dihydroxypentylsulfanyl)phenyl]-5-methyl-hexanoate CAS Name: 5-[3-(2,4-dihydroxypentylthio)phenyl]-5-methylhexanoic acid methyl ester IUPAC Name: methyl 5-[3-(2,4-dihydroxypentylsulfanyl)phenyl]-5-methylhexanoate Traditional Name: 5-[3-(2,4-dihydroxypentylthio)phenyl]-5-methyl-hexanoic acid methyl ester Formula: C19H30O4S MolecularWeight: 354.5041

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CSC1=CC=CC(=C1)C(C)(C)CCCC(=O)OC)O)O

Isomeric SMILES

CC(CC(CSC1=CC=CC(=C1)C(C)(C)CCCC(=O)OC)O)O

InChI

InChI=1S/C19H30O4S/c1-14(20)11-16(21)13-24-17-8-5-7-15(12-17)19(2,3)10-6-9-18(22)23-4/h5,7-8,12,14,16,20-21H,6,9-11,13H2,1-4H3