3-[2-(tert-butylsulfonylmethyl)naphthalen-1-yl]propanoic acid

Systemtic Name: 3-[2-(tert-butylsulfonylmethyl)naphthalen-1-yl]propanoic acid Openeye Name: 3-[2-(tert-butylsulfonylmethyl)-1-naphthyl]propanoic acid CAS Name: 3-[2-(tert-butylsulfonylmethyl)-1-naphthalenyl]propanoic acid IUPAC Name: 3-[2-(tert-butylsulfonylmethyl)naphthalen-1-yl]propanoic acid Traditional Name: 3-[2-(tert-butylsulfonylmethyl)-1-naphthyl]propionic acid Formula: C18H22O4S MolecularWeight: 334.42988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)CC1=C(C2=CC=CC=C2C=C1)CCC(=O)O

Isomeric SMILES

CC(C)(C)S(=O)(=O)CC1=C(C2=CC=CC=C2C=C1)CCC(=O)O

InChI

InChI=1S/C18H22O4S/c1-18(2,3)23(21,22)12-14-9-8-13-6-4-5-7-15(13)16(14)10-11-17(19)20/h4-9H,10-12H2,1-3H3,(H,19,20)