methyl 2-[[3-methyl-5-(octylsulfanylmethyl)-4-oxidanyl-phenyl]-octylsulfanyl-methyl]sulfanylethanoate

Systemtic Name: methyl 2-[[3-methyl-5-(octylsulfanylmethyl)-4-oxidanyl-phenyl]-octylsulfanyl-methyl]sulfanylethanoate Openeye Name: methyl 2-[[4-hydroxy-3-methyl-5-(octylsulfanylmethyl)phenyl]-octylsulfanyl-methyl]sulfanylacetate CAS Name: 2-[[[4-hydroxy-3-methyl-5-[(octylthio)methyl]phenyl]-(octylthio)methyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-hydroxy-3-methyl-5-(octylsulfanylmethyl)phenyl]-octylsulfanylmethyl]sulfanylacetate Traditional Name: 2-[[[4-hydroxy-3-methyl-5-[(octylthio)methyl]phenyl]-(octylthio)methyl]thio]acetic acid methyl ester Formula: C28H48O3S3 MolecularWeight: 528.87392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCC1=CC(=CC(=C1O)C)C(SCCCCCCCC)SCC(=O)OC

Isomeric SMILES

CCCCCCCCSCC1=CC(=CC(=C1O)C)C(SCCCCCCCC)SCC(=O)OC

InChI

InChI=1S/C28H48O3S3/c1-5-7-9-11-13-15-17-32-21-25-20-24(19-23(3)27(25)30)28(34-22-26(29)31-4)33-18-16-14-12-10-8-6-2/h19-20,28,30H,5-18,21-22H2,1-4H3