2-[(4-methoxyphenyl)sulfanylmethyl]-5-(4-methoxyphenyl)sulfonyl-pentanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfanylmethyl]-5-(4-methoxyphenyl)sulfonyl-pentanoic acid Openeye Name: 2-[(4-methoxyphenyl)sulfanylmethyl]-5-(4-methoxyphenyl)sulfonyl-pentanoic acid CAS Name: 5-(4-methoxyphenyl)sulfonyl-2-[[(4-methoxyphenyl)thio]methyl]pentanoic acid IUPAC Name: 2-[(4-methoxyphenyl)sulfanylmethyl]-5-(4-methoxyphenyl)sulfonylpentanoic acid Traditional Name: 5-(4-methoxyphenyl)sulfonyl-2-[[(4-methoxyphenyl)thio]methyl]valeric acid Formula: C20H24O6S2 MolecularWeight: 424.53096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(CCCS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)SCC(CCCS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C20H24O6S2/c1-25-16-5-9-18(10-6-16)27-14-15(20(21)22)4-3-13-28(23,24)19-11-7-17(26-2)8-12-19/h5-12,15H,3-4,13-14H2,1-2H3,(H,21,22)