13-(4-fluorophenyl)-8-methylsulfonyl-12-phenylmethoxy-tridecanoic acid

Systemtic Name: 13-(4-fluorophenyl)-8-methylsulfonyl-12-phenylmethoxy-tridecanoic acid Openeye Name: 12-benzyloxy-13-(4-fluorophenyl)-8-methylsulfonyl-tridecanoic acid CAS Name: 13-(4-fluorophenyl)-8-methylsulfonyl-12-phenylmethoxytridecanoic acid IUPAC Name: 13-(4-fluorophenyl)-8-methylsulfonyl-12-phenylmethoxytridecanoic acid Traditional Name: 12-benzoxy-13-(4-fluorophenyl)-8-mesyl-tridecanoic acid Formula: C27H37FO5S MolecularWeight: 492.643083

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(CCCCCCC(=O)O)CCCC(CC1=CC=C(C=C1)F)OCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C(CCCCCCC(=O)O)CCCC(CC1=CC=C(C=C1)F)OCC2=CC=CC=C2

InChI

InChI=1S/C27H37FO5S/c1-34(31,32)26(13-7-2-3-8-15-27(29)30)14-9-12-25(20-22-16-18-24(28)19-17-22)33-21-23-10-5-4-6-11-23/h4-6,10-11,16-19,25-26H,2-3,7-9,12-15,20-21H2,1H3,(H,29,30)