8-methylsulfonyl-12-oxidanyl-13-pyridin-3-yloxy-tridecanoic acid

Systemtic Name: 8-methylsulfonyl-12-oxidanyl-13-pyridin-3-yloxy-tridecanoic acid Openeye Name: 12-hydroxy-8-methylsulfonyl-13-(3-pyridyloxy)tridecanoic acid CAS Name: 12-hydroxy-8-methylsulfonyl-13-(3-pyridinyloxy)tridecanoic acid IUPAC Name: 12-hydroxy-8-methylsulfonyl-13-pyridin-3-yloxytridecanoic acid Traditional Name: 12-hydroxy-8-mesyl-13-(3-pyridyloxy)tridecanoic acid Formula: C19H31NO6S MolecularWeight: 401.51754

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(CCCCCCC(=O)O)CCCC(COC1=CN=CC=C1)O

Isomeric SMILES

CS(=O)(=O)C(CCCCCCC(=O)O)CCCC(COC1=CN=CC=C1)O

InChI

InChI=1S/C19H31NO6S/c1-27(24,25)18(10-4-2-3-5-12-19(22)23)11-6-8-16(21)15-26-17-9-7-13-20-14-17/h7,9,13-14,16,18,21H,2-6,8,10-12,15H2,1H3,(H,22,23)