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methyl 8-methylsulfonyl-13-phenoxy-12-phenylmethoxy-tridecanoate

methyl 8-methylsulfonyl-13-phenoxy-12-phenylmethoxy-tridecanoate

Systemtic Name:methyl 8-methylsulfonyl-13-phenoxy-12-phenylmethoxy-tridecanoate
Openeye Name:methyl 12-benzyloxy-8-methylsulfonyl-13-phenoxy-tridecanoate
CAS Name:8-methylsulfonyl-13-phenoxy-12-phenylmethoxytridecanoic acid methyl ester
IUPAC Name:methyl 8-methylsulfonyl-13-phenoxy-12-phenylmethoxytridecanoate
Traditional Name:12-benzoxy-8-mesyl-13-phenoxy-tridecanoic acid methyl ester
Formula: C28H40O6S
MolecularWeight: 504.6786
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C28H40O6S/c1-32-28(29)21-12-4-3-11-19-27(35(2,30)31)20-13-18-26(23-34-25-16-9-6-10-17-25)33-22-24-14-7-5-8-15-24/h5-10,14-17,26-27H,3-4,11-13,18-23H2,1-2H3


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