2-[[6,7-bis(chloranyl)-2-(1-hydroxyethyl)-1-benzothiophen-5-yl]oxy]butanoate

Systemtic Name: 2-[[6,7-bis(chloranyl)-2-(1-hydroxyethyl)-1-benzothiophen-5-yl]oxy]butanoate Openeye Name: 2-[6,7-dichloro-2-(1-hydroxyethyl)benzothiophen-5-yl]oxybutanoate CAS Name: 2-[[6,7-dichloro-2-(1-hydroxyethyl)-1-benzothiophen-5-yl]oxy]butanoate IUPAC Name: 2-[[6,7-dichloro-2-(1-hydroxyethyl)-1-benzothiophen-5-yl]oxy]butanoate Traditional Name: 2-[6,7-dichloro-2-(1-hydroxyethyl)benzothiophen-5-yl]oxybutyrate Formula: C14H13Cl2O4S- MolecularWeight: 348.22162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])OC1=C(C(=C2C(=C1)C=C(S2)C(C)O)Cl)Cl

Isomeric SMILES

CCC(C(=O)[O-])OC1=C(C(=C2C(=C1)C=C(S2)C(C)O)Cl)Cl

InChI

InChI=1S/C14H14Cl2O4S/c1-3-8(14(18)19)20-9-4-7-5-10(6(2)17)21-13(7)12(16)11(9)15/h4-6,8,17H,3H2,1-2H3,(H,18,19)/p-1