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

Systemtic Name: 13-(4-methylphenoxy)-8-methylsulfonyl-12-phenylmethoxy-tridecanoic acid Openeye Name: 12-benzyloxy-13-(4-methylphenoxy)-8-methylsulfonyl-tridecanoic acid CAS Name: 13-(4-methylphenoxy)-8-methylsulfonyl-12-phenylmethoxytridecanoic acid IUPAC Name: 13-(4-methylphenoxy)-8-methylsulfonyl-12-phenylmethoxytridecanoic acid Traditional Name: 12-benzoxy-8-mesyl-13-(4-methylphenoxy)tridecanoic acid Formula: C28H40O6S MolecularWeight: 504.6786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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