3-(3,4-dimethoxyphenyl)-2H-1-benzothiophene-3-carboxylic acid

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2H-1-benzothiophene-3-carboxylic acid Openeye Name: 3-(3,4-dimethoxyphenyl)-2H-benzothiophene-3-carboxylic acid CAS Name: 3-(3,4-dimethoxyphenyl)-2H-1-benzothiophene-3-carboxylic acid IUPAC Name: 3-(3,4-dimethoxyphenyl)-2H-1-benzothiophene-3-carboxylic acid Traditional Name: 3-(3,4-dimethoxyphenyl)-2H-benzothiophene-3-carboxylic acid Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CSC3=CC=CC=C32)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CSC3=CC=CC=C32)C(=O)O)OC

InChI

InChI=1S/C17H16O4S/c1-20-13-8-7-11(9-14(13)21-2)17(16(18)19)10-22-15-6-4-3-5-12(15)17/h3-9H,10H2,1-2H3,(H,18,19)