3-[(4-chloranylphenoxy)methyl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[(4-chloranylphenoxy)methyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[(4-chlorophenoxy)methyl]benzothiophene-2-carboxylic acid CAS Name: 3-[(4-chlorophenoxy)methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[(4-chlorophenoxy)methyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[(4-chlorophenoxy)methyl]benzothiophene-2-carboxylic acid Formula: C16H11ClO3S MolecularWeight: 318.77474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H11ClO3S/c17-10-5-7-11(8-6-10)20-9-13-12-3-1-2-4-14(12)21-15(13)16(18)19/h1-8H,9H2,(H,18,19)