7-(2-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-heptanoic acid

Systemtic Name: 7-(2-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-heptanoic acid Openeye Name: 7-(2-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-heptanoic acid CAS Name: 7-(2-methoxyphenyl)-2-(4-methoxyphenyl)sulfonylheptanoic acid IUPAC Name: 7-(2-methoxyphenyl)-2-(4-methoxyphenyl)sulfonylheptanoic acid Traditional Name: 7-(2-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-enanthic acid Formula: C21H26O6S MolecularWeight: 406.49254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C(CCCCCC2=CC=CC=C2OC)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C(CCCCCC2=CC=CC=C2OC)C(=O)O

InChI

InChI=1S/C21H26O6S/c1-26-17-12-14-18(15-13-17)28(24,25)20(21(22)23)11-5-3-4-8-16-9-6-7-10-19(16)27-2/h6-7,9-10,12-15,20H,3-5,8,11H2,1-2H3,(H,22,23)