2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-5-methyl-4-oxidanyl-phenyl]-3-oxidanylidene-2-benzofuran-1-yl]-3-methyl-2-oxidanyl-phenyl]methyl-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-5-methyl-4-oxidanyl-phenyl]-3-oxidanylidene-2-benzofuran-1-yl]-3-methyl-2-oxidanyl-phenyl]methyl-(carboxymethyl)amino]ethanoic acid Openeye 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 CAS Name: 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-1-isobenzofuranyl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid Traditional Name: 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methyl-phenyl]-3-keto-phthalan-1-yl]-2-hydroxy-3-methyl-benzyl]-(carboxymethyl)amino]acetic acid Formula: C32H32N2O12 MolecularWeight: 636.60268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C(=C4)CN(CC(=O)O)CC(=O)O)O)C)CN(CC(=O)O)CC(=O)O)O

Isomeric SMILES

CC1=C(C(=CC(=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C(=C4)CN(CC(=O)O)CC(=O)O)O)C)CN(CC(=O)O)CC(=O)O)O

InChI

InChI=1S/C32H32N2O12/c1-17-7-21(9-19(29(17)43)11-33(13-25(35)36)14-26(37)38)32(24-6-4-3-5-23(24)31(45)46-32)22-8-18(2)30(44)20(10-22)12-34(15-27(39)40)16-28(41)42/h3-10,43-44H,11-16H2,1-2H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42)