4-[2-(3,4-dicarboxyphenoxy)-3-sulfanyl-phenoxy]phthalic acid

Systemtic Name: 4-[2-(3,4-dicarboxyphenoxy)-3-sulfanyl-phenoxy]phthalic acid Openeye Name: 4-[2-(3,4-dicarboxyphenoxy)-3-sulfanyl-phenoxy]phthalic acid CAS Name: 4-[2-(3,4-dicarboxyphenoxy)-3-mercaptophenoxy]phthalic acid IUPAC Name: 4-[2-(3,4-dicarboxyphenoxy)-3-sulfanylphenoxy]phthalic acid Traditional Name: 4-[2-(3,4-dicarboxyphenoxy)-3-mercapto-phenoxy]phthalic acid Formula: C22H14O10S MolecularWeight: 470.40556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)S)OC2=CC(=C(C=C2)C(=O)O)C(=O)O)OC3=CC(=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)S)OC2=CC(=C(C=C2)C(=O)O)C(=O)O)OC3=CC(=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H14O10S/c23-19(24)12-6-4-10(8-14(12)21(27)28)31-16-2-1-3-17(33)18(16)32-11-5-7-13(20(25)26)15(9-11)22(29)30/h1-9,33H,(H,23,24)(H,25,26)(H,27,28)(H,29,30)