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Pentacarboxylic acids and derivatives

Organic compounds that contain five carboxyl groups; carboxyl groups consist of a carbonyl group bonded to a hydroxy group. Includes compounds that are derived from pentacarboxylic acids.

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o-Cresolphthalein Complexone, TRC

CAS: 2411-89-4 Molecular Formula: C32 H32 N2 O12 Molecular Weight (g/mol): 636.6 Synonym: 3',3' '-Bis[[bis(carboxymethyl)amino]methyl]-5',5' '-dimethyl-phenolphthalein;N,N'-[(3-Oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)glycine];3,3'-Bis[N,N-bis(carboxymethyl)aminomethyl]-o-cresolphthalein;3,3'-Bis[N,N-di(carboxymethyl)aminomethyl]-o-cresolphthalein; IUPAC Name: 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methyl-phenyl]-3-oxo-isobenzofuran-1-yl]-2-hydroxy-3-methyl-phenyl]methyl-(carboxymethyl)amino]acetic acid SMILES: O=C(O)CN(CC(=O)O)CC=1C=C(C=C(C1O)C)C2(OC(=O)C=3C=CC=CC32)C=4C=C(C(O)=C(C4)CN(CC(=O)O)CC(=O)O)C

CAS 2411-89-4
Molecular Weight (g/mol) 636.6
SMILES O=C(O)CN(CC(=O)O)CC=1C=C(C=C(C1O)C)C2(OC(=O)C=3C=CC=CC32)C=4C=C(C(O)=C(C4)CN(CC(=O)O)CC(=O)O)C
Synonym 3',3' '-Bis[[bis(carboxymethyl)amino]methyl]-5',5' '-dimethyl-phenolphthalein;N,N'-[(3-Oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)glycine];3,3'-Bis[N,N-bis(carboxymethyl)aminomethyl]-o-cresolphthalein;3,3'-Bis[N,N-di(carboxymethyl)aminomethyl]-o-cresolphthalein;
IUPAC Name 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methyl-phenyl]-3-oxo-isobenzofuran-1-yl]-2-hydroxy-3-methyl-phenyl]methyl-(carboxymethyl)amino]acetic acid
Molecular Formula C32 H32 N2 O12