13-(4-methylphenoxy)-8-methylsulfonyl-12-oxidanyl-tridecanoic acid

Systemtic Name: 13-(4-methylphenoxy)-8-methylsulfonyl-12-oxidanyl-tridecanoic acid Openeye Name: 12-hydroxy-13-(4-methylphenoxy)-8-methylsulfonyl-tridecanoic acid CAS Name: 12-hydroxy-13-(4-methylphenoxy)-8-methylsulfonyltridecanoic acid IUPAC Name: 12-hydroxy-13-(4-methylphenoxy)-8-methylsulfonyltridecanoic acid Traditional Name: 12-hydroxy-8-mesyl-13-(4-methylphenoxy)tridecanoic acid Formula: C21H34O6S MolecularWeight: 414.55606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34O6S/c1-17-12-14-19(15-13-17)27-16-18(22)8-7-10-20(28(2,25)26)9-5-3-4-6-11-21(23)24/h12-15,18,20,22H,3-11,16H2,1-2H3,(H,23,24)