2-[6-methoxy-4-(4-methylsulfonylphenyl)carbonyl-naphthalen-2-yl]ethanoic acid

Systemtic Name: 2-[6-methoxy-4-(4-methylsulfonylphenyl)carbonyl-naphthalen-2-yl]ethanoic acid Openeye Name: 2-[6-methoxy-4-(4-methylsulfonylbenzoyl)-2-naphthyl]acetic acid CAS Name: 2-[6-methoxy-4-[(4-methylsulfonylphenyl)-oxomethyl]-2-naphthalenyl]acetic acid IUPAC Name: 2-[6-methoxy-4-(4-methylsulfonylbenzoyl)naphthalen-2-yl]acetic acid Traditional Name: 2-[4-(4-mesylbenzoyl)-6-methoxy-2-naphthyl]acetic acid Formula: C21H18O6S MolecularWeight: 398.42902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C(C=C2C=C1)CC(=O)O)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC2=C(C=C(C=C2C=C1)CC(=O)O)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H18O6S/c1-27-16-6-3-15-9-13(11-20(22)23)10-19(18(15)12-16)21(24)14-4-7-17(8-5-14)28(2,25)26/h3-10,12H,11H2,1-2H3,(H,22,23)