3-[4-[4-(3,4-dicarboxyphenoxy)phenyl]sulfanylphenoxy]phthalic acid

Systemtic Name: 3-[4-[4-(3,4-dicarboxyphenoxy)phenyl]sulfanylphenoxy]phthalic acid Openeye Name: 3-[4-[4-(3,4-dicarboxyphenoxy)phenyl]sulfanylphenoxy]phthalic acid CAS Name: 3-[4-[[4-(3,4-dicarboxyphenoxy)phenyl]thio]phenoxy]phthalic acid IUPAC Name: 3-[4-[4-(3,4-dicarboxyphenoxy)phenyl]sulfanylphenoxy]phthalic acid Traditional Name: 3-[4-[[4-(3,4-dicarboxyphenoxy)phenyl]thio]phenoxy]phthalic acid Formula: C28H18O10S MolecularWeight: 546.50152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)OC2=CC=C(C=C2)SC3=CC=C(C=C3)OC4=CC(=C(C=C4)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)OC2=CC=C(C=C2)SC3=CC=C(C=C3)OC4=CC(=C(C=C4)C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C28H18O10S/c29-25(30)20-13-8-17(14-22(20)27(33)34)37-15-4-9-18(10-5-15)39-19-11-6-16(7-12-19)38-23-3-1-2-21(26(31)32)24(23)28(35)36/h1-14H,(H,29,30)(H,31,32)(H,33,34)(H,35,36)