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

Systemtic Name: methyl 13-(4-methylphenoxy)-8-methylsulfonyl-12-phenylmethoxy-tridecanoate Openeye Name: methyl 12-benzyloxy-13-(4-methylphenoxy)-8-methylsulfonyl-tridecanoate CAS Name: 13-(4-methylphenoxy)-8-methylsulfonyl-12-phenylmethoxytridecanoic acid methyl ester IUPAC Name: methyl 13-(4-methylphenoxy)-8-methylsulfonyl-12-phenylmethoxytridecanoate Traditional Name: 12-benzoxy-8-mesyl-13-(4-methylphenoxy)tridecanoic acid methyl ester Formula: C29H42O6S MolecularWeight: 518.70518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CCCC(CCCCCCC(=O)OC)S(=O)(=O)C)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)OCC(CCCC(CCCCCCC(=O)OC)S(=O)(=O)C)OCC2=CC=CC=C2

InChI

InChI=1S/C29H42O6S/c1-24-18-20-26(21-19-24)35-23-27(34-22-25-12-7-6-8-13-25)14-11-16-28(36(3,31)32)15-9-4-5-10-17-29(30)33-2/h6-8,12-13,18-21,27-28H,4-5,9-11,14-17,22-23H2,1-3H3