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

Systemtic Name: 7-(3,4-dimethoxyphenyl)-2,5-bis(hydroxymethyl)-4-oxidanyl-1-benzothiophene-6-carboxylic acid Openeye Name: 7-(3,4-dimethoxyphenyl)-4-hydroxy-2,5-bis(hydroxymethyl)benzothiophene-6-carboxylic acid CAS Name: 7-(3,4-dimethoxyphenyl)-4-hydroxy-2,5-bis(hydroxymethyl)-1-benzothiophene-6-carboxylic acid IUPAC Name: 7-(3,4-dimethoxyphenyl)-4-hydroxy-2,5-bis(hydroxymethyl)-1-benzothiophene-6-carboxylic acid Traditional Name: 7-(3,4-dimethoxyphenyl)-4-hydroxy-2,5-dimethylol-benzothiophene-6-carboxylic acid Formula: C19H18O7S MolecularWeight: 390.40702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18O7S/c1-25-13-4-3-9(5-14(13)26-2)15-16(19(23)24)12(8-21)17(22)11-6-10(7-20)27-18(11)15/h3-6,20-22H,7-8H2,1-2H3,(H,23,24)