4-[2,4-bis(methylsulfanyl)phenoxy]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[2,4-bis(methylsulfanyl)phenoxy]benzene-1,3-dicarboxylic acid Openeye Name: 4-[2,4-bis(methylsulfanyl)phenoxy]benzene-1,3-dicarboxylic acid CAS Name: 4-[2,4-bis(methylthio)phenoxy]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[2,4-bis(methylsulfanyl)phenoxy]benzene-1,3-dicarboxylic acid Traditional Name: 4-[2,4-bis(methylthio)phenoxy]isophthalic acid Formula: C16H14O5S2 MolecularWeight: 350.40936

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)OC2=C(C=C(C=C2)C(=O)O)C(=O)O)SC

Isomeric SMILES

CSC1=CC(=C(C=C1)OC2=C(C=C(C=C2)C(=O)O)C(=O)O)SC

InChI

InChI=1S/C16H14O5S2/c1-22-10-4-6-13(14(8-10)23-2)21-12-5-3-9(15(17)18)7-11(12)16(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20)