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

Systemtic Name: 4-[4-[4-(3,4-dicarboxyphenyl)sulfanylphenoxy]phenyl]sulfanylphthalic acid Openeye Name: 4-[4-[4-(3,4-dicarboxyphenyl)sulfanylphenoxy]phenyl]sulfanylphthalic acid CAS Name: 4-[[4-[4-[(3,4-dicarboxyphenyl)thio]phenoxy]phenyl]thio]phthalic acid IUPAC Name: 4-[4-[4-(3,4-dicarboxyphenyl)sulfanylphenoxy]phenyl]sulfanylphthalic acid Traditional Name: 4-[[4-[4-[(3,4-dicarboxyphenyl)thio]phenoxy]phenyl]thio]phthalic acid Formula: C28H18O9S2 MolecularWeight: 562.56712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=CC=C(C=C2)SC3=CC(=C(C=C3)C(=O)O)C(=O)O)SC4=CC(=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1OC2=CC=C(C=C2)SC3=CC(=C(C=C3)C(=O)O)C(=O)O)SC4=CC(=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C28H18O9S2/c29-25(30)21-11-9-19(13-23(21)27(33)34)38-17-5-1-15(2-6-17)37-16-3-7-18(8-4-16)39-20-10-12-22(26(31)32)24(14-20)28(35)36/h1-14H,(H,29,30)(H,31,32)(H,33,34)(H,35,36)