4-(1,3-dioxan-2-yl)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 4-(1,3-dioxan-2-yl)-1-benzothiophene-2-carboxylic acid Openeye Name: 4-(1,3-dioxan-2-yl)benzothiophene-2-carboxylic acid CAS Name: 4-(1,3-dioxan-2-yl)-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-(1,3-dioxan-2-yl)-1-benzothiophene-2-carboxylic acid Traditional Name: 4-(1,3-dioxan-2-yl)benzothiophene-2-carboxylic acid Formula: C13H12O4S MolecularWeight: 264.29698

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(OC1)C2=C3C=C(SC3=CC=C2)C(=O)O

Isomeric SMILES

C1COC(OC1)C2=C3C=C(SC3=CC=C2)C(=O)O

InChI

InChI=1S/C13H12O4S/c14-12(15)11-7-9-8(3-1-4-10(9)18-11)13-16-5-2-6-17-13/h1,3-4,7,13H,2,5-6H2,(H,14,15)