2-[6-chloranyl-3-methyl-4-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalen-2-yl]ethanoic acid

Systemtic Name: 2-[6-chloranyl-3-methyl-4-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalen-2-yl]ethanoic acid Openeye Name: 2-[6-chloro-3-methyl-4-[[4-(methylsulfonylmethyl)phenyl]methyl]-2-naphthyl]acetic acid CAS Name: 2-[6-chloro-3-methyl-4-[[4-(methylsulfonylmethyl)phenyl]methyl]-2-naphthalenyl]acetic acid IUPAC Name: 2-[6-chloro-3-methyl-4-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalen-2-yl]acetic acid Traditional Name: 2-[6-chloro-4-[4-(mesylmethyl)benzyl]-3-methyl-2-naphthyl]acetic acid Formula: C22H21ClO4S MolecularWeight: 416.91774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=C1CC3=CC=C(C=C3)CS(=O)(=O)C)Cl)CC(=O)O

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=C1CC3=CC=C(C=C3)CS(=O)(=O)C)Cl)CC(=O)O

InChI

InChI=1S/C22H21ClO4S/c1-14-18(11-22(24)25)10-17-7-8-19(23)12-21(17)20(14)9-15-3-5-16(6-4-15)13-28(2,26)27/h3-8,10,12H,9,11,13H2,1-2H3,(H,24,25)