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

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

Systemtic Name:8-methylsulfonyl-12-phenylmethoxy-13-propoxy-tridecanoic acid
Openeye Name:12-benzyloxy-8-methylsulfonyl-13-propoxy-tridecanoic acid
CAS Name:8-methylsulfonyl-12-phenylmethoxy-13-propoxytridecanoic acid
IUPAC Name:8-methylsulfonyl-12-phenylmethoxy-13-propoxytridecanoic acid
Traditional Name:12-benzoxy-8-mesyl-13-propoxy-tridecanoic acid
Formula: C24H40O6S
MolecularWeight: 456.6358
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Descriptors Computed from Structure

Canonical SMILES:

CCCOCC(CCCC(CCCCCCC(=O)O)S(=O)(=O)C)OCC1=CC=CC=C1


Isomeric SMILES

CCCOCC(CCCC(CCCCCCC(=O)O)S(=O)(=O)C)OCC1=CC=CC=C1


InChI

InChI=1S/C24H40O6S/c1-3-18-29-20-22(30-19-21-12-7-6-8-13-21)14-11-16-23(31(2,27)28)15-9-4-5-10-17-24(25)26/h6-8,12-13,22-23H,3-5,9-11,14-20H2,1-2H3,(H,25,26)


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