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

Systemtic Name: methyl 13-[2,4-bis(chloranyl)phenoxy]-8-methylsulfonyl-12-phenylmethoxy-tridecanoate Openeye Name: methyl 12-benzyloxy-13-(2,4-dichlorophenoxy)-8-methylsulfonyl-tridecanoate CAS Name: 13-(2,4-dichlorophenoxy)-8-methylsulfonyl-12-phenylmethoxytridecanoic acid methyl ester IUPAC Name: methyl 13-(2,4-dichlorophenoxy)-8-methylsulfonyl-12-phenylmethoxytridecanoate Traditional Name: 12-benzoxy-13-(2,4-dichlorophenoxy)-8-mesyl-tridecanoic acid methyl ester Formula: C28H38Cl2O6S MolecularWeight: 573.56872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38Cl2O6S/c1-34-28(31)16-9-4-3-8-14-25(37(2,32)33)15-10-13-24(35-20-22-11-6-5-7-12-22)21-36-27-18-17-23(29)19-26(27)30/h5-7,11-12,17-19,24-25H,3-4,8-10,13-16,20-21H2,1-2H3