ethyl 2-(hydroxymethyl)-2-oxidanyl-8-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)oxy-octanoate

Systemtic Name: ethyl 2-(hydroxymethyl)-2-oxidanyl-8-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)oxy-octanoate Openeye Name: ethyl 2-hydroxy-2-(hydroxymethyl)-8-(6-thioxocyclohexa-1,3-dien-1-yl)oxy-octanoate CAS Name: 2-hydroxy-2-(hydroxymethyl)-8-[(6-sulfanylidene-1-cyclohexa-1,3-dienyl)oxy]octanoic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-2-(hydroxymethyl)-8-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)oxyoctanoate Traditional Name: 2-hydroxy-2-methylol-8-(6-thioxocyclohexa-1,3-dien-1-yl)oxy-caprylic acid ethyl ester Formula: C17H26O5S MolecularWeight: 342.45034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCCOC1=CC=CCC1=S)(CO)O

Isomeric SMILES

CCOC(=O)C(CCCCCCOC1=CC=CCC1=S)(CO)O

InChI

InChI=1S/C17H26O5S/c1-2-21-16(19)17(20,13-18)11-7-3-4-8-12-22-14-9-5-6-10-15(14)23/h5-6,9,18,20H,2-4,7-8,10-13H2,1H3