ethyl 4-oxidanyl-5-[3-(1-oxidanylhexyl)phenoxy]-2-(2-sulfanylethyl)pentanoate

Systemtic Name: ethyl 4-oxidanyl-5-[3-(1-oxidanylhexyl)phenoxy]-2-(2-sulfanylethyl)pentanoate Openeye Name: ethyl 4-hydroxy-5-[3-(1-hydroxyhexyl)phenoxy]-2-(2-sulfanylethyl)pentanoate CAS Name: 4-hydroxy-5-[3-(1-hydroxyhexyl)phenoxy]-2-(2-mercaptoethyl)pentanoic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-5-[3-(1-hydroxyhexyl)phenoxy]-2-(2-sulfanylethyl)pentanoate Traditional Name: 4-hydroxy-5-[3-(1-hydroxyhexyl)phenoxy]-2-(2-mercaptoethyl)valeric acid ethyl ester Formula: C21H34O5S MolecularWeight: 398.55666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34O5S/c1-3-5-6-10-20(23)16-8-7-9-19(14-16)26-15-18(22)13-17(11-12-27)21(24)25-4-2/h7-9,14,17-18,20,22-23,27H,3-6,10-13,15H2,1-2H3