3-[(4-tert-butylphenyl)methylsulfonyl]propanoic acid

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfonyl]propanoic acid Openeye Name: 3-[(4-tert-butylphenyl)methylsulfonyl]propanoic acid CAS Name: 3-[(4-tert-butylphenyl)methylsulfonyl]propanoic acid IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfonyl]propanoic acid Traditional Name: 3-(4-tert-butylbenzyl)sulfonylpropionic acid Formula: C14H20O4S MolecularWeight: 284.3712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O4S/c1-14(2,3)12-6-4-11(5-7-12)10-19(17,18)9-8-13(15)16/h4-7H,8-10H2,1-3H3,(H,15,16)