4-{3-[3-(4-carboxyphenoxy)-2,2-bis(4-carboxyphenoxymethyl)propoxy]-2,2-bis(4-carboxyphenoxymethyl)propoxy}benzoic acid

CAS: 1359740-26-3

Formula: C52H46O19

SMILES: OC(=O)C1=CC=C(OCC(COCC(COC2=CC=C(C=C2)C(O)=O)(COC2=CC=C(C=C2)C(O)=O)COC2=CC=C(C=C2)C(O)=O)(COC2=CC=C(C=C2)C(O)=O)COC2=CC=C(C=C2)C(O)=O)C=C1

IUPAC: 4-{3-[3-(4-carboxyphenoxy)-2,2-bis[(4-carboxyphenoxy)methyl]propoxy]-2,2-bis[(4-carboxyphenoxy)methyl]propoxy}benzoic acid

InChI: InChI=1S/C52H46O19/c53-45(54)33-1-13-39(14-2-33)66-27-51(28-67-40-15-3-34(4-16-40)46(55)56,29-68-41-17-5-35(6-18-41)47(57)58)25-65-26-52(30-69-42-19-7-36(8-20-42)48(59)60,31-70-43-21-9-37(10-22-43)49(61)62)32-71-44-23-11-38(12-24-44)50(63)64/h1-24H,25-32H

Composition: C (64.06%), H (4.76%), O (31.18%)

Molar Mass: 974.921

Atom Count: 117

Heavy Atom Count: 71