4-(4-methylsulfanyl-2-pentoxy-phenoxy)benzene-1,3-dicarboxylic acid

Systemtic Name: 4-(4-methylsulfanyl-2-pentoxy-phenoxy)benzene-1,3-dicarboxylic acid Openeye Name: 4-(4-methylsulfanyl-2-pentoxy-phenoxy)benzene-1,3-dicarboxylic acid CAS Name: 4-[4-(methylthio)-2-pentoxyphenoxy]benzene-1,3-dicarboxylic acid IUPAC Name: 4-(4-methylsulfanyl-2-pentoxyphenoxy)benzene-1,3-dicarboxylic acid Traditional Name: 4-[2-amoxy-4-(methylthio)phenoxy]isophthalic acid Formula: C20H22O6S MolecularWeight: 390.45008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC(=C1)SC)OC2=C(C=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCOC1=C(C=CC(=C1)SC)OC2=C(C=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C20H22O6S/c1-3-4-5-10-25-18-12-14(27-2)7-9-17(18)26-16-8-6-13(19(21)22)11-15(16)20(23)24/h6-9,11-12H,3-5,10H2,1-2H3,(H,21,22)(H,23,24)