ethyl 2-(bromomethyl)-2-oxidanyl-8-[2-(3-sulfanylidenecyclohexa-1,5-dien-1-yl)ethoxy]octanoate

Systemtic Name: ethyl 2-(bromomethyl)-2-oxidanyl-8-[2-(3-sulfanylidenecyclohexa-1,5-dien-1-yl)ethoxy]octanoate Openeye Name: ethyl 2-(bromomethyl)-2-hydroxy-8-[2-(3-thioxocyclohexa-1,5-dien-1-yl)ethoxy]octanoate CAS Name: 2-(bromomethyl)-2-hydroxy-8-[2-(3-sulfanylidene-1-cyclohexa-1,5-dienyl)ethoxy]octanoic acid ethyl ester IUPAC Name: ethyl 2-(bromomethyl)-2-hydroxy-8-[2-(3-sulfanylidenecyclohexa-1,5-dien-1-yl)ethoxy]octanoate Traditional Name: 2-(bromomethyl)-2-hydroxy-8-[2-(3-thioxocyclohexa-1,5-dien-1-yl)ethoxy]caprylic acid ethyl ester Formula: C19H29BrO4S MolecularWeight: 433.40016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCCOCCC1=CC(=S)CC=C1)(CBr)O

Isomeric SMILES

CCOC(=O)C(CCCCCCOCCC1=CC(=S)CC=C1)(CBr)O

InChI

InChI=1S/C19H29BrO4S/c1-2-24-18(21)19(22,15-20)11-5-3-4-6-12-23-13-10-16-8-7-9-17(25)14-16/h7-8,14,22H,2-6,9-13,15H2,1H3