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

Systemtic Name: 8-methylsulfonyl-12-phenylmethoxy-13-pyridin-3-yloxy-tridecanoic acid Openeye Name: 12-benzyloxy-8-methylsulfonyl-13-(3-pyridyloxy)tridecanoic acid CAS Name: 8-methylsulfonyl-12-phenylmethoxy-13-(3-pyridinyloxy)tridecanoic acid IUPAC Name: 8-methylsulfonyl-12-phenylmethoxy-13-pyridin-3-yloxytridecanoic acid Traditional Name: 12-benzoxy-8-mesyl-13-(3-pyridyloxy)tridecanoic acid Formula: C26H37NO6S MolecularWeight: 491.64008

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(CCCCCCC(=O)O)CCCC(COC1=CN=CC=C1)OCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C(CCCCCCC(=O)O)CCCC(COC1=CN=CC=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C26H37NO6S/c1-34(30,31)25(15-7-2-3-8-17-26(28)29)16-9-13-24(21-33-23-14-10-18-27-19-23)32-20-22-11-5-4-6-12-22/h4-6,10-12,14,18-19,24-25H,2-3,7-9,13,15-17,20-21H2,1H3,(H,28,29)