3a,4,5,6,7,7a-hexahydro-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3a,4,5,6,7,7a-hexahydro-1-benzothiophene-2-carboxylic acid Openeye Name: 3a,4,5,6,7,7a-hexahydrobenzothiophene-2-carboxylic acid CAS Name: 3a,4,5,6,7,7a-hexahydro-1-benzothiophene-2-carboxylic acid IUPAC Name: 3a,4,5,6,7,7a-hexahydro-1-benzothiophene-2-carboxylic acid Traditional Name: 3a,4,5,6,7,7a-hexahydrobenzothiophene-2-carboxylic acid Formula: C9H12O2S MolecularWeight: 184.25538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C=C(S2)C(=O)O

Isomeric SMILES

C1CCC2C(C1)C=C(S2)C(=O)O

InChI

InChI=1S/C9H12O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h5-7H,1-4H2,(H,10,11)