4-(carboxymethyloxy)-7-(4-methylphenyl)-1-benzothiophene-6-carboxylic acid

Systemtic Name: 4-(carboxymethyloxy)-7-(4-methylphenyl)-1-benzothiophene-6-carboxylic acid Openeye Name: 4-(carboxymethyloxy)-7-(p-tolyl)benzothiophene-6-carboxylic acid CAS Name: 4-(carboxymethyloxy)-7-(4-methylphenyl)-1-benzothiophene-6-carboxylic acid IUPAC Name: 4-(carboxymethyloxy)-7-(4-methylphenyl)-1-benzothiophene-6-carboxylic acid Traditional Name: 4-(carboxymethyloxy)-7-(p-tolyl)benzothiophene-6-carboxylic acid Formula: C18H14O5S MolecularWeight: 342.36576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C(=C(C=C2C(=O)O)OCC(=O)O)C=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C(=C(C=C2C(=O)O)OCC(=O)O)C=CS3

InChI

InChI=1S/C18H14O5S/c1-10-2-4-11(5-3-10)16-13(18(21)22)8-14(23-9-15(19)20)12-6-7-24-17(12)16/h2-8H,9H2,1H3,(H,19,20)(H,21,22)