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

Systemtic Name: methyl 5-[2,4-bis(oxidanyl)-5-phenylsulfanyl-phenyl]-5-methyl-hexanoate Openeye Name: methyl 5-(2,4-dihydroxy-5-phenylsulfanyl-phenyl)-5-methyl-hexanoate CAS Name: 5-[2,4-dihydroxy-5-(phenylthio)phenyl]-5-methylhexanoic acid methyl ester IUPAC Name: methyl 5-(2,4-dihydroxy-5-phenylsulfanylphenyl)-5-methylhexanoate Traditional Name: 5-[2,4-dihydroxy-5-(phenylthio)phenyl]-5-methyl-hexanoic acid methyl ester Formula: C20H24O4S MolecularWeight: 360.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC(=O)OC)C1=CC(=C(C=C1O)O)SC2=CC=CC=C2

Isomeric SMILES

CC(C)(CCCC(=O)OC)C1=CC(=C(C=C1O)O)SC2=CC=CC=C2

InChI

InChI=1S/C20H24O4S/c1-20(2,11-7-10-19(23)24-3)15-12-18(17(22)13-16(15)21)25-14-8-5-4-6-9-14/h4-6,8-9,12-13,21-22H,7,10-11H2,1-3H3