5-(hydroxymethyl)-4-methoxy-7-(3,4,5-trimethoxyphenyl)-1-benzothiophene-6-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C3C(=C(C(=C2C(=O)O)CO)OC)C=CS3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C3C(=C(C(=C2C(=O)O)CO)OC)C=CS3

InChI

InChI=1S/C20H20O7S/c1-24-13-7-10(8-14(25-2)18(13)27-4)15-16(20(22)23)12(9-21)17(26-3)11-5-6-28-19(11)15/h5-8,21H,9H2,1-4H3,(H,22,23)