4-(4-methanoylphenyl)sulfanylbutane-1-sulfonic acid

Systemtic Name: 4-(4-methanoylphenyl)sulfanylbutane-1-sulfonic acid Openeye Name: 4-(4-formylphenyl)sulfanylbutane-1-sulfonic acid CAS Name: 4-[(4-formylphenyl)thio]-1-butanesulfonic acid IUPAC Name: 4-(4-formylphenyl)sulfanylbutane-1-sulfonic acid Traditional Name: 4-[(4-formylphenyl)thio]butane-1-sulfonic acid Formula: C11H14O4S2 MolecularWeight: 274.35646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=O)SCCCCS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C=O)SCCCCS(=O)(=O)O

InChI

InChI=1S/C11H14O4S2/c12-9-10-3-5-11(6-4-10)16-7-1-2-8-17(13,14)15/h3-6,9H,1-2,7-8H2,(H,13,14,15)