3-[2-[4-(3,4-dicarboxyphenoxy)phenyl]sulfanylphenoxy]phthalic acid

Systemtic Name: 3-[2-[4-(3,4-dicarboxyphenoxy)phenyl]sulfanylphenoxy]phthalic acid Openeye Name: 3-[2-[4-(3,4-dicarboxyphenoxy)phenyl]sulfanylphenoxy]phthalic acid CAS Name: 3-[2-[[4-(3,4-dicarboxyphenoxy)phenyl]thio]phenoxy]phthalic acid IUPAC Name: 3-[2-[4-(3,4-dicarboxyphenoxy)phenyl]sulfanylphenoxy]phthalic acid Traditional Name: 3-[2-[[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=CC(=C2C(=O)O)C(=O)O)SC3=CC=C(C=C3)OC4=CC(=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)OC2=CC=CC(=C2C(=O)O)C(=O)O)SC3=CC=C(C=C3)OC4=CC(=C(C=C4)C(=O)O)C(=O)O

InChI

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