4-[4-[2-[4-(3,4-dicarboxyphenoxy)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]phenoxy]phthalic acid

Systemtic Name: 4-[4-[2-[4-(3,4-dicarboxyphenoxy)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]phenoxy]phthalic acid Openeye Name: 4-[4-[1-[4-(3,4-dicarboxyphenoxy)phenyl]-2-hydroxy-1-methyl-2-oxo-ethyl]phenoxy]phthalic acid CAS Name: 4-[4-[2-[4-(3,4-dicarboxyphenoxy)phenyl]-1-hydroxy-1-oxopropan-2-yl]phenoxy]phthalic acid IUPAC Name: 4-[4-[2-[4-(3,4-dicarboxyphenoxy)phenyl]-1-hydroxy-1-oxopropan-2-yl]phenoxy]phthalic acid Traditional Name: 4-[4-[1-[4-(3,4-dicarboxyphenoxy)phenyl]-2-hydroxy-2-keto-1-methyl-ethyl]phenoxy]phthalic acid Formula: C31H22O12 MolecularWeight: 586.49918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H22O12/c1-31(30(40)41,16-2-6-18(7-3-16)42-20-10-12-22(26(32)33)24(14-20)28(36)37)17-4-8-19(9-5-17)43-21-11-13-23(27(34)35)25(15-21)29(38)39/h2-15H,1H3,(H,32,33)(H,34,35)(H,36,37)(H,38,39)(H,40,41)