methyl 3-[3-(3-cyclopentyl-2-oxidanyl-phenyl)-2-oxidanyl-propyl]sulfanylpropanoate

Systemtic Name: methyl 3-[3-(3-cyclopentyl-2-oxidanyl-phenyl)-2-oxidanyl-propyl]sulfanylpropanoate Openeye Name: methyl 3-[3-(3-cyclopentyl-2-hydroxy-phenyl)-2-hydroxy-propyl]sulfanylpropanoate CAS Name: 3-[[3-(3-cyclopentyl-2-hydroxyphenyl)-2-hydroxypropyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(3-cyclopentyl-2-hydroxyphenyl)-2-hydroxypropyl]sulfanylpropanoate Traditional Name: 3-[[3-(3-cyclopentyl-2-hydroxy-phenyl)-2-hydroxy-propyl]thio]propionic acid methyl ester Formula: C18H26O4S MolecularWeight: 338.46164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(CC1=CC=CC(=C1O)C2CCCC2)O

Isomeric SMILES

COC(=O)CCSCC(CC1=CC=CC(=C1O)C2CCCC2)O

InChI

InChI=1S/C18H26O4S/c1-22-17(20)9-10-23-12-15(19)11-14-7-4-8-16(18(14)21)13-5-2-3-6-13/h4,7-8,13,15,19,21H,2-3,5-6,9-12H2,1H3