(2S)-2-[4-(2-methylpropyl)phenyl]propane-1-sulfonic acid

Systemtic Name: (2S)-2-[4-(2-methylpropyl)phenyl]propane-1-sulfonic acid Openeye Name: (2S)-2-(4-isobutylphenyl)propane-1-sulfonic acid CAS Name: (2S)-2-[4-(2-methylpropyl)phenyl]-1-propanesulfonic acid IUPAC Name: (2S)-2-[4-(2-methylpropyl)phenyl]propane-1-sulfonic acid Traditional Name: (2S)-2-(4-isobutylphenyl)propane-1-sulfonic acid Formula: C13H20O3S MolecularWeight: 256.3611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)CS(=O)(=O)O

Isomeric SMILES

C[C@H](CS(=O)(=O)O)C1=CC=C(C=C1)CC(C)C

InChI

InChI=1S/C13H20O3S/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-17(14,15)16/h4-7,10-11H,8-9H2,1-3H3,(H,14,15,16)/t11-/m1/s1