4-(5-chloranyl-1-benzothiophen-3-yl)oxane-4-carboxylic acid

Systemtic Name: 4-(5-chloranyl-1-benzothiophen-3-yl)oxane-4-carboxylic acid Openeye Name: 4-(5-chlorobenzothiophen-3-yl)tetrahydropyran-4-carboxylic acid CAS Name: 4-(5-chloro-1-benzothiophen-3-yl)-4-oxanecarboxylic acid IUPAC Name: 4-(5-chloro-1-benzothiophen-3-yl)oxane-4-carboxylic acid Traditional Name: 4-(5-chlorobenzothiophen-3-yl)tetrahydropyran-4-carboxylic acid Formula: C14H13ClO3S MolecularWeight: 296.76922

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C2=CSC3=C2C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1COCCC1(C2=CSC3=C2C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C14H13ClO3S/c15-9-1-2-12-10(7-9)11(8-19-12)14(13(16)17)3-5-18-6-4-14/h1-2,7-8H,3-6H2,(H,16,17)