3-(oxan-2-ylmethoxymethyl)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-(oxan-2-ylmethoxymethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(tetrahydropyran-2-ylmethoxymethyl)benzothiophene-2-carboxylic acid CAS Name: 3-(2-oxanylmethoxymethyl)-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(oxan-2-ylmethoxymethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 3-(tetrahydropyran-2-ylmethoxymethyl)benzothiophene-2-carboxylic acid Formula: C16H18O4S MolecularWeight: 306.37672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)COCC2=C(SC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CCOC(C1)COCC2=C(SC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H18O4S/c17-16(18)15-13(12-6-1-2-7-14(12)21-15)10-19-9-11-5-3-4-8-20-11/h1-2,6-7,11H,3-5,8-10H2,(H,17,18)