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8-methylsulfonyl-13-phenoxy-12-phenylmethoxy-tridecanoic acid

8-methylsulfonyl-13-phenoxy-12-phenylmethoxy-tridecanoic acid

Systemtic Name:8-methylsulfonyl-13-phenoxy-12-phenylmethoxy-tridecanoic acid
Openeye Name:12-benzyloxy-8-methylsulfonyl-13-phenoxy-tridecanoic acid
CAS Name:8-methylsulfonyl-13-phenoxy-12-phenylmethoxytridecanoic acid
IUPAC Name:8-methylsulfonyl-13-phenoxy-12-phenylmethoxytridecanoic acid
Traditional Name:12-benzoxy-8-mesyl-13-phenoxy-tridecanoic acid
Formula: C27H38O6S
MolecularWeight: 490.65202
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C27H38O6S/c1-34(30,31)26(18-10-2-3-11-20-27(28)29)19-12-17-25(22-33-24-15-8-5-9-16-24)32-21-23-13-6-4-7-14-23/h4-9,13-16,25-26H,2-3,10-12,17-22H2,1H3,(H,28,29)


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