3,3,4-trimethyl-2H-1-benzothiophene-5-carboxylic acid

Systemtic Name: 3,3,4-trimethyl-2H-1-benzothiophene-5-carboxylic acid Openeye Name: 3,3,4-trimethyl-2H-benzothiophene-5-carboxylic acid CAS Name: 3,3,4-trimethyl-2H-1-benzothiophene-5-carboxylic acid IUPAC Name: 3,3,4-trimethyl-2H-1-benzothiophene-5-carboxylic acid Traditional Name: 3,3,4-trimethyl-2H-benzothiophene-5-carboxylic acid Formula: C12H14O2S MolecularWeight: 222.30336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(CS2)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1C(CS2)(C)C)C(=O)O

InChI

InChI=1S/C12H14O2S/c1-7-8(11(13)14)4-5-9-10(7)12(2,3)6-15-9/h4-5H,6H2,1-3H3,(H,13,14)