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

Systemtic Name: 3-[4-[4-(3,4-dicarboxyphenyl)sulfanylphenoxy]phenyl]sulfanylphthalic acid Openeye Name: 3-[4-[4-(3,4-dicarboxyphenyl)sulfanylphenoxy]phenyl]sulfanylphthalic acid CAS Name: 3-[[4-[4-[(3,4-dicarboxyphenyl)thio]phenoxy]phenyl]thio]phthalic acid IUPAC Name: 3-[4-[4-(3,4-dicarboxyphenyl)sulfanylphenoxy]phenyl]sulfanylphthalic acid Traditional Name: 3-[[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(=C(C(=C1)SC2=CC=C(C=C2)OC3=CC=C(C=C3)SC4=CC(=C(C=C4)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)SC2=CC=C(C=C2)OC3=CC=C(C=C3)SC4=CC(=C(C=C4)C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

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