methyl 8-methylsulfonyl-12-phenylmethoxy-13-pyridin-3-yloxy-tridecanoate

Systemtic Name: methyl 8-methylsulfonyl-12-phenylmethoxy-13-pyridin-3-yloxy-tridecanoate Openeye Name: methyl 12-benzyloxy-8-methylsulfonyl-13-(3-pyridyloxy)tridecanoate CAS Name: 8-methylsulfonyl-12-phenylmethoxy-13-(3-pyridinyloxy)tridecanoic acid methyl ester IUPAC Name: methyl 8-methylsulfonyl-12-phenylmethoxy-13-pyridin-3-yloxytridecanoate Traditional Name: 12-benzoxy-8-mesyl-13-(3-pyridyloxy)tridecanoic acid methyl ester Formula: C27H39NO6S MolecularWeight: 505.66666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39NO6S/c1-32-27(29)18-9-4-3-8-16-26(35(2,30)31)17-10-14-25(22-34-24-15-11-19-28-20-24)33-21-23-12-6-5-7-13-23/h5-7,11-13,15,19-20,25-26H,3-4,8-10,14,16-18,21-22H2,1-2H3