2-[4-(oxan-2-ylmethylsulfonyl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(oxan-2-ylmethylsulfonyl)phenyl]ethanoic acid Openeye Name: 2-[4-(tetrahydropyran-2-ylmethylsulfonyl)phenyl]acetic acid CAS Name: 2-[4-(2-oxanylmethylsulfonyl)phenyl]acetic acid IUPAC Name: 2-[4-(oxan-2-ylmethylsulfonyl)phenyl]acetic acid Traditional Name: 2-[4-(tetrahydropyran-2-ylmethylsulfonyl)phenyl]acetic acid Formula: C14H18O5S MolecularWeight: 298.35472

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CS(=O)(=O)C2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

C1CCOC(C1)CS(=O)(=O)C2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C14H18O5S/c15-14(16)9-11-4-6-13(7-5-11)20(17,18)10-12-3-1-2-8-19-12/h4-7,12H,1-3,8-10H2,(H,15,16)