3-[4-[4-(2,3-dicarboxyphenyl)sulfanylphenyl]phenyl]sulfanylphthalic acid

Systemtic Name: 3-[4-[4-(2,3-dicarboxyphenyl)sulfanylphenyl]phenyl]sulfanylphthalic acid Openeye Name: 3-[4-[4-(2,3-dicarboxyphenyl)sulfanylphenyl]phenyl]sulfanylphthalic acid CAS Name: 3-[[4-[4-[(2,3-dicarboxyphenyl)thio]phenyl]phenyl]thio]phthalic acid IUPAC Name: 3-[4-[4-(2,3-dicarboxyphenyl)sulfanylphenyl]phenyl]sulfanylphthalic acid Traditional Name: 3-[[4-[4-[(2,3-dicarboxyphenyl)thio]phenyl]phenyl]thio]phthalic acid Formula: C28H18O8S2 MolecularWeight: 546.56772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)SC2=CC=C(C=C2)C3=CC=C(C=C3)SC4=CC=CC(=C4C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)SC2=CC=C(C=C2)C3=CC=C(C=C3)SC4=CC=CC(=C4C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C28H18O8S2/c29-25(30)19-3-1-5-21(23(19)27(33)34)37-17-11-7-15(8-12-17)16-9-13-18(14-10-16)38-22-6-2-4-20(26(31)32)24(22)28(35)36/h1-14H,(H,29,30)(H,31,32)(H,33,34)(H,35,36)