4-[3-(4-carboxyphenyl)carbonyloxy-2,2-bis[(4-carboxyphenyl)carbonyloxymethyl]propoxy]carbonylbenzoic acid

Systemtic Name: 4-[3-(4-carboxyphenyl)carbonyloxy-2,2-bis[(4-carboxyphenyl)carbonyloxymethyl]propoxy]carbonylbenzoic acid Openeye Name: 4-[3-(4-carboxybenzoyl)oxy-2,2-bis[(4-carboxybenzoyl)oxymethyl]propoxy]carbonylbenzoic acid CAS Name: 4-[[3-[(4-carboxyphenyl)-oxomethoxy]-2,2-bis[[(4-carboxyphenyl)-oxomethoxy]methyl]propoxy]-oxomethyl]benzoic acid IUPAC Name: 4-[3-(4-carboxybenzoyl)oxy-2,2-bis[(4-carboxybenzoyl)oxymethyl]propoxy]carbonylbenzoic acid Traditional Name: 4-[3-(4-carboxybenzoyl)oxy-2,2-bis[(4-carboxybenzoyl)oxymethyl]propoxy]carbonylbenzoic acid Formula: C37H28O16 MolecularWeight: 728.60862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)C(=O)OCC(COC(=O)C2=CC=C(C=C2)C(=O)O)(COC(=O)C3=CC=C(C=C3)C(=O)O)COC(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)C(=O)OCC(COC(=O)C2=CC=C(C=C2)C(=O)O)(COC(=O)C3=CC=C(C=C3)C(=O)O)COC(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C37H28O16/c38-29(39)21-1-9-25(10-2-21)33(46)50-17-37(18-51-34(47)26-11-3-22(4-12-26)30(40)41,19-52-35(48)27-13-5-23(6-14-27)31(42)43)20-53-36(49)28-15-7-24(8-16-28)32(44)45/h1-16H,17-20H2,(H,38,39)(H,40,41)(H,42,43)(H,44,45)