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

Systemtic Name: 2-[6-chloranyl-3-methyl-4-[(4-methylsulfonylphenyl)methyl]naphthalen-2-yl]ethanoic acid Openeye Name: 2-[6-chloro-3-methyl-4-[(4-methylsulfonylphenyl)methyl]-2-naphthyl]acetic acid CAS Name: 2-[6-chloro-3-methyl-4-[(4-methylsulfonylphenyl)methyl]-2-naphthalenyl]acetic acid IUPAC Name: 2-[6-chloro-3-methyl-4-[(4-methylsulfonylphenyl)methyl]naphthalen-2-yl]acetic acid Traditional Name: 2-[6-chloro-4-(4-mesylbenzyl)-3-methyl-2-naphthyl]acetic acid Formula: C21H19ClO4S MolecularWeight: 402.89116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClO4S/c1-13-16(11-21(23)24)10-15-5-6-17(22)12-20(15)19(13)9-14-3-7-18(8-4-14)27(2,25)26/h3-8,10,12H,9,11H2,1-2H3,(H,23,24)