8-methylsulfonyl-12-oxidanyl-13-phenoxy-tridecanoic acid

Systemtic Name: 8-methylsulfonyl-12-oxidanyl-13-phenoxy-tridecanoic acid Openeye Name: 12-hydroxy-8-methylsulfonyl-13-phenoxy-tridecanoic acid CAS Name: 12-hydroxy-8-methylsulfonyl-13-phenoxytridecanoic acid IUPAC Name: 12-hydroxy-8-methylsulfonyl-13-phenoxytridecanoic acid Traditional Name: 12-hydroxy-8-mesyl-13-phenoxy-tridecanoic acid Formula: C20H32O6S MolecularWeight: 400.52948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32O6S/c1-27(24,25)19(13-7-2-3-8-15-20(22)23)14-9-10-17(21)16-26-18-11-5-4-6-12-18/h4-6,11-12,17,19,21H,2-3,7-10,13-16H2,1H3,(H,22,23)