2-[6-chloranyl-3-methyl-4-(4-methylsulfonylphenyl)carbonyl-naphthalen-2-yl]ethanoic acid

Systemtic Name: 2-[6-chloranyl-3-methyl-4-(4-methylsulfonylphenyl)carbonyl-naphthalen-2-yl]ethanoic acid Openeye Name: 2-[6-chloro-3-methyl-4-(4-methylsulfonylbenzoyl)-2-naphthyl]acetic acid CAS Name: 2-[6-chloro-3-methyl-4-[(4-methylsulfonylphenyl)-oxomethyl]-2-naphthalenyl]acetic acid IUPAC Name: 2-[6-chloro-3-methyl-4-(4-methylsulfonylbenzoyl)naphthalen-2-yl]acetic acid Traditional Name: 2-[6-chloro-4-(4-mesylbenzoyl)-3-methyl-2-naphthyl]acetic acid Formula: C21H17ClO5S MolecularWeight: 416.87468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=C1C(=O)C3=CC=C(C=C3)S(=O)(=O)C)Cl)CC(=O)O

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=C1C(=O)C3=CC=C(C=C3)S(=O)(=O)C)Cl)CC(=O)O

InChI

InChI=1S/C21H17ClO5S/c1-12-15(10-19(23)24)9-14-3-6-16(22)11-18(14)20(12)21(25)13-4-7-17(8-5-13)28(2,26)27/h3-9,11H,10H2,1-2H3,(H,23,24)