7-(3,4-dimethoxyphenyl)-2,5-bis(hydroxymethyl)-4-methoxy-1-benzothiophene-6-carboxylic acid

Systemtic Name: 7-(3,4-dimethoxyphenyl)-2,5-bis(hydroxymethyl)-4-methoxy-1-benzothiophene-6-carboxylic acid Openeye Name: 7-(3,4-dimethoxyphenyl)-2,5-bis(hydroxymethyl)-4-methoxy-benzothiophene-6-carboxylic acid CAS Name: 7-(3,4-dimethoxyphenyl)-2,5-bis(hydroxymethyl)-4-methoxy-1-benzothiophene-6-carboxylic acid IUPAC Name: 7-(3,4-dimethoxyphenyl)-2,5-bis(hydroxymethyl)-4-methoxy-1-benzothiophene-6-carboxylic acid Traditional Name: 7-(3,4-dimethoxyphenyl)-4-methoxy-2,5-dimethylol-benzothiophene-6-carboxylic acid Formula: C20H20O7S MolecularWeight: 404.4336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3C(=C(C(=C2C(=O)O)CO)OC)C=C(S3)CO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3C(=C(C(=C2C(=O)O)CO)OC)C=C(S3)CO)OC

InChI

InChI=1S/C20H20O7S/c1-25-14-5-4-10(6-15(14)26-2)16-17(20(23)24)13(9-22)18(27-3)12-7-11(8-21)28-19(12)16/h4-7,21-22H,8-9H2,1-3H3,(H,23,24)