2-[4-[(2-chloranyl-4-methylsulfonyl-phenyl)-oxidanyl-methyl]-6-fluoranyl-naphthalen-2-yl]ethanoic acid

Systemtic Name: 2-[4-[(2-chloranyl-4-methylsulfonyl-phenyl)-oxidanyl-methyl]-6-fluoranyl-naphthalen-2-yl]ethanoic acid Openeye Name: 2-[4-[(2-chloro-4-methylsulfonyl-phenyl)-hydroxy-methyl]-6-fluoro-2-naphthyl]acetic acid CAS Name: 2-[4-[(2-chloro-4-methylsulfonylphenyl)-hydroxymethyl]-6-fluoro-2-naphthalenyl]acetic acid IUPAC Name: 2-[4-[(2-chloro-4-methylsulfonylphenyl)-hydroxymethyl]-6-fluoronaphthalen-2-yl]acetic acid Traditional Name: 2-[4-[(2-chloro-4-mesyl-phenyl)-hydroxy-methyl]-6-fluoro-2-naphthyl]acetic acid Formula: C20H16ClFO5S MolecularWeight: 422.854443

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(C2=C3C=C(C=CC3=CC(=C2)CC(=O)O)F)O)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(C2=C3C=C(C=CC3=CC(=C2)CC(=O)O)F)O)Cl

InChI

InChI=1S/C20H16ClFO5S/c1-28(26,27)14-4-5-15(18(21)10-14)20(25)17-7-11(8-19(23)24)6-12-2-3-13(22)9-16(12)17/h2-7,9-10,20,25H,8H2,1H3,(H,23,24)