3-[4-(oxan-2-ylmethylsulfonyl)phenyl]propanoic acid

Systemtic Name: 3-[4-(oxan-2-ylmethylsulfonyl)phenyl]propanoic acid Openeye Name: 3-[4-(tetrahydropyran-2-ylmethylsulfonyl)phenyl]propanoic acid CAS Name: 3-[4-(2-oxanylmethylsulfonyl)phenyl]propanoic acid IUPAC Name: 3-[4-(oxan-2-ylmethylsulfonyl)phenyl]propanoic acid Traditional Name: 3-[4-(tetrahydropyran-2-ylmethylsulfonyl)phenyl]propionic acid Formula: C15H20O5S MolecularWeight: 312.3813

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O5S/c16-15(17)9-6-12-4-7-14(8-5-12)21(18,19)11-13-3-1-2-10-20-13/h4-5,7-8,13H,1-3,6,9-11H2,(H,16,17)