13-[2,4-bis(chloranyl)phenoxy]-8-methylsulfonyl-12-phenylmethoxy-tridecanoic acid

Systemtic Name: 13-[2,4-bis(chloranyl)phenoxy]-8-methylsulfonyl-12-phenylmethoxy-tridecanoic acid Openeye Name: 12-benzyloxy-13-(2,4-dichlorophenoxy)-8-methylsulfonyl-tridecanoic acid CAS Name: 13-(2,4-dichlorophenoxy)-8-methylsulfonyl-12-phenylmethoxytridecanoic acid IUPAC Name: 13-(2,4-dichlorophenoxy)-8-methylsulfonyl-12-phenylmethoxytridecanoic acid Traditional Name: 12-benzoxy-13-(2,4-dichlorophenoxy)-8-mesyl-tridecanoic acid Formula: C27H36Cl2O6S MolecularWeight: 559.54214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36Cl2O6S/c1-36(32,33)24(13-7-2-3-8-15-27(30)31)14-9-12-23(34-19-21-10-5-4-6-11-21)20-35-26-17-16-22(28)18-25(26)29/h4-6,10-11,16-18,23-24H,2-3,7-9,12-15,19-20H2,1H3,(H,30,31)