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

Systemtic Name: 7-(3,4-dimethoxyphenyl)-5-(hydroxymethyl)-4-methoxy-2-(methoxymethyl)-1-benzothiophene-6-carboxylic acid Openeye Name: 7-(3,4-dimethoxyphenyl)-5-(hydroxymethyl)-4-methoxy-2-(methoxymethyl)benzothiophene-6-carboxylic acid CAS Name: 7-(3,4-dimethoxyphenyl)-5-(hydroxymethyl)-4-methoxy-2-(methoxymethyl)-1-benzothiophene-6-carboxylic acid IUPAC Name: 7-(3,4-dimethoxyphenyl)-5-(hydroxymethyl)-4-methoxy-2-(methoxymethyl)-1-benzothiophene-6-carboxylic acid Traditional Name: 7-(3,4-dimethoxyphenyl)-4-methoxy-2-(methoxymethyl)-5-methylol-benzothiophene-6-carboxylic acid Formula: C21H22O7S MolecularWeight: 418.46018

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC2=C(C(=C(C(=C2S1)C3=CC(=C(C=C3)OC)OC)C(=O)O)CO)OC

Isomeric SMILES

COCC1=CC2=C(C(=C(C(=C2S1)C3=CC(=C(C=C3)OC)OC)C(=O)O)CO)OC

InChI

InChI=1S/C21H22O7S/c1-25-10-12-8-13-19(28-4)14(9-22)18(21(23)24)17(20(13)29-12)11-5-6-15(26-2)16(7-11)27-3/h5-8,22H,9-10H2,1-4H3,(H,23,24)