4-oxidanyl-5-[3-(1-oxidanylhexyl)phenoxy]-2-(2-sulfanylethyl)pentanoic acid

Systemtic Name: 4-oxidanyl-5-[3-(1-oxidanylhexyl)phenoxy]-2-(2-sulfanylethyl)pentanoic acid Openeye Name: 4-hydroxy-5-[3-(1-hydroxyhexyl)phenoxy]-2-(2-sulfanylethyl)pentanoic acid CAS Name: 4-hydroxy-5-[3-(1-hydroxyhexyl)phenoxy]-2-(2-mercaptoethyl)pentanoic acid IUPAC Name: 4-hydroxy-5-[3-(1-hydroxyhexyl)phenoxy]-2-(2-sulfanylethyl)pentanoic acid Traditional Name: 4-hydroxy-5-[3-(1-hydroxyhexyl)phenoxy]-2-(2-mercaptoethyl)valeric acid Formula: C19H30O5S MolecularWeight: 370.5035

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=CC=C1)OCC(CC(CCS)C(=O)O)O)O

Isomeric SMILES

CCCCCC(C1=CC(=CC=C1)OCC(CC(CCS)C(=O)O)O)O

InChI

InChI=1S/C19H30O5S/c1-2-3-4-8-18(21)14-6-5-7-17(12-14)24-13-16(20)11-15(9-10-25)19(22)23/h5-7,12,15-16,18,20-21,25H,2-4,8-11,13H2,1H3,(H,22,23)