1-benzothiophen-2-ylmethanesulfonic acid

Systemtic Name: 1-benzothiophen-2-ylmethanesulfonic acid Openeye Name: benzothiophen-2-ylmethanesulfonic acid CAS Name: 1-benzothiophen-2-ylmethanesulfonic acid IUPAC Name: 1-benzothiophen-2-ylmethanesulfonic acid Traditional Name: benzothiophen-2-ylmethanesulfonic acid Formula: C9H8O3S2 MolecularWeight: 228.28802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)CS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)CS(=O)(=O)O

InChI

InChI=1S/C9H8O3S2/c10-14(11,12)6-8-5-7-3-1-2-4-9(7)13-8/h1-5H,6H2,(H,10,11,12)