methyl 13-(4-fluoranylphenoxy)-8-methylsulfonyl-12-phenylmethoxy-tridecanoate

Systemtic Name: methyl 13-(4-fluoranylphenoxy)-8-methylsulfonyl-12-phenylmethoxy-tridecanoate Openeye Name: methyl 12-benzyloxy-13-(4-fluorophenoxy)-8-methylsulfonyl-tridecanoate CAS Name: 13-(4-fluorophenoxy)-8-methylsulfonyl-12-phenylmethoxytridecanoic acid methyl ester IUPAC Name: methyl 13-(4-fluorophenoxy)-8-methylsulfonyl-12-phenylmethoxytridecanoate Traditional Name: 12-benzoxy-13-(4-fluorophenoxy)-8-mesyl-tridecanoic acid methyl ester Formula: C28H39FO6S MolecularWeight: 522.669063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39FO6S/c1-33-28(30)16-9-4-3-8-14-27(36(2,31)32)15-10-13-26(34-21-23-11-6-5-7-12-23)22-35-25-19-17-24(29)18-20-25/h5-7,11-12,17-20,26-27H,3-4,8-10,13-16,21-22H2,1-2H3