5-ethyl-1-benzothiophene-2,3-dicarboxylic acid

Systemtic Name: 5-ethyl-1-benzothiophene-2,3-dicarboxylic acid Openeye Name: 5-ethylbenzothiophene-2,3-dicarboxylic acid CAS Name: 5-ethyl-1-benzothiophene-2,3-dicarboxylic acid IUPAC Name: 5-ethyl-1-benzothiophene-2,3-dicarboxylic acid Traditional Name: 5-ethylbenzothiophene-2,3-dicarboxylic acid Formula: C12H10O4S MolecularWeight: 250.2704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)SC(=C2C(=O)O)C(=O)O

Isomeric SMILES

CCC1=CC2=C(C=C1)SC(=C2C(=O)O)C(=O)O

InChI

InChI=1S/C12H10O4S/c1-2-6-3-4-8-7(5-6)9(11(13)14)10(17-8)12(15)16/h3-5H,2H2,1H3,(H,13,14)(H,15,16)