5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid

Systemtic Name: 5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid Openeye Name: 5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid CAS Name: 5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid IUPAC Name: 5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid Traditional Name: 5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid Formula: C13H18O2S MolecularWeight: 238.34582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)O

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)O

InChI

InChI=1S/C13H18O2S/c1-13(2,3)9-4-5-10-8(6-9)7-11(16-10)12(14)15/h7,9H,4-6H2,1-3H3,(H,14,15)