ethyl 2-(bromomethyl)-8-[(4-methoxythiophen-2-yl)methoxy]-2-oxidanyl-octanoate

Systemtic Name: ethyl 2-(bromomethyl)-8-[(4-methoxythiophen-2-yl)methoxy]-2-oxidanyl-octanoate Openeye Name: ethyl 2-(bromomethyl)-2-hydroxy-8-[(4-methoxy-2-thienyl)methoxy]octanoate CAS Name: 2-(bromomethyl)-2-hydroxy-8-[(4-methoxy-2-thiophenyl)methoxy]octanoic acid ethyl ester IUPAC Name: ethyl 2-(bromomethyl)-2-hydroxy-8-[(4-methoxythiophen-2-yl)methoxy]octanoate Traditional Name: 2-(bromomethyl)-2-hydroxy-8-[(4-methoxy-2-thienyl)methoxy]caprylic acid ethyl ester Formula: C17H27BrO5S MolecularWeight: 423.36228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCCOCC1=CC(=CS1)OC)(CBr)O

Isomeric SMILES

CCOC(=O)C(CCCCCCOCC1=CC(=CS1)OC)(CBr)O

InChI

InChI=1S/C17H27BrO5S/c1-3-23-16(19)17(20,13-18)8-6-4-5-7-9-22-11-15-10-14(21-2)12-24-15/h10,12,20H,3-9,11,13H2,1-2H3