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

Systemtic Name: 2-[[6,7-bis(chloranyl)-2-(hydroxymethyl)-1-benzothiophen-5-yl]oxy]butanoate Openeye Name: 2-[6,7-dichloro-2-(hydroxymethyl)benzothiophen-5-yl]oxybutanoate CAS Name: 2-[[6,7-dichloro-2-(hydroxymethyl)-1-benzothiophen-5-yl]oxy]butanoate IUPAC Name: 2-[[6,7-dichloro-2-(hydroxymethyl)-1-benzothiophen-5-yl]oxy]butanoate Traditional Name: 2-(6,7-dichloro-2-methylol-benzothiophen-5-yl)oxybutyrate Formula: C13H11Cl2O4S- MolecularWeight: 334.19504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12Cl2O4S/c1-2-8(13(17)18)19-9-4-6-3-7(5-16)20-12(6)11(15)10(9)14/h3-4,8,16H,2,5H2,1H3,(H,17,18)/p-1