4-[2-(3,4-dicarboxyphenoxy)-3-(phenylsulfonyl)phenoxy]phthalic acid

Systemtic Name: 4-[2-(3,4-dicarboxyphenoxy)-3-(phenylsulfonyl)phenoxy]phthalic acid Openeye Name: 4-[3-(benzenesulfonyl)-2-(3,4-dicarboxyphenoxy)phenoxy]phthalic acid CAS Name: 4-[3-(benzenesulfonyl)-2-(3,4-dicarboxyphenoxy)phenoxy]phthalic acid IUPAC Name: 4-[3-(benzenesulfonyl)-2-(3,4-dicarboxyphenoxy)phenoxy]phthalic acid Traditional Name: 4-[3-besyl-2-(3,4-dicarboxyphenoxy)phenoxy]phthalic acid Formula: C28H18O12S MolecularWeight: 578.50032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC(=C2OC3=CC(=C(C=C3)C(=O)O)C(=O)O)OC4=CC(=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC(=C2OC3=CC(=C(C=C3)C(=O)O)C(=O)O)OC4=CC(=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C28H18O12S/c29-25(30)18-11-9-15(13-20(18)27(33)34)39-22-7-4-8-23(41(37,38)17-5-2-1-3-6-17)24(22)40-16-10-12-19(26(31)32)21(14-16)28(35)36/h1-14H,(H,29,30)(H,31,32)(H,33,34)(H,35,36)