3-(2-methylphenyl)-4-oxidanylidene-4-[3-(thiophen-3-ylmethoxy)phenyl]butane-1-sulfonic acid

Systemtic Name: 3-(2-methylphenyl)-4-oxidanylidene-4-[3-(thiophen-3-ylmethoxy)phenyl]butane-1-sulfonic acid Openeye Name: 3-(o-tolyl)-4-oxo-4-[3-(3-thienylmethoxy)phenyl]butane-1-sulfonic acid CAS Name: 3-(2-methylphenyl)-4-oxo-4-[3-(3-thiophenylmethoxy)phenyl]-1-butanesulfonic acid IUPAC Name: 3-(2-methylphenyl)-4-oxo-4-[3-(thiophen-3-ylmethoxy)phenyl]butane-1-sulfonic acid Traditional Name: 4-keto-3-(o-tolyl)-4-[3-(3-thenyloxy)phenyl]butane-1-sulfonic acid Formula: C22H22O5S2 MolecularWeight: 430.53708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCS(=O)(=O)O)C(=O)C2=CC(=CC=C2)OCC3=CSC=C3

Isomeric SMILES

CC1=CC=CC=C1C(CCS(=O)(=O)O)C(=O)C2=CC(=CC=C2)OCC3=CSC=C3

InChI

InChI=1S/C22H22O5S2/c1-16-5-2-3-8-20(16)21(10-12-29(24,25)26)22(23)18-6-4-7-19(13-18)27-14-17-9-11-28-15-17/h2-9,11,13,15,21H,10,12,14H2,1H3,(H,24,25,26)