2-[[7'-[[carboxymethyl(methyl)amino]methyl]-3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[7'-[[carboxymethyl(methyl)amino]methyl]-3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl-methyl-amino]ethanoic acid Openeye Name: 2-[[7'-[[carboxymethyl(methyl)amino]methyl]-3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-2'-yl]methyl-methyl-amino]acetic acid CAS Name: 2-[[7'-[[carboxymethyl(methyl)amino]methyl]-3',6'-dihydroxy-3-oxo-2'-spiro[isobenzofuran-1,9'-xanthene]yl]methyl-methylamino]acetic acid IUPAC Name: 2-[[7'-[[carboxymethyl(methyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl-methylamino]acetic acid Traditional Name: 2-[[7'-[[carboxymethyl(methyl)amino]methyl]-3',6'-dihydroxy-3-keto-spiro[phthalan-1,9'-xanthene]-2'-yl]methyl-methyl-amino]acetic acid Formula: C28H26N2O9 MolecularWeight: 534.51404

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=C2C(=C1)C3(C4=CC=CC=C4C(=O)O3)C5=CC(=C(C=C5O2)O)CN(C)CC(=O)O)O)CC(=O)O

Isomeric SMILES

CN(CC1=C(C=C2C(=C1)C3(C4=CC=CC=C4C(=O)O3)C5=CC(=C(C=C5O2)O)CN(C)CC(=O)O)O)CC(=O)O

InChI

InChI=1S/C28H26N2O9/c1-29(13-25(33)34)11-15-7-19-23(9-21(15)31)38-24-10-22(32)16(12-30(2)14-26(35)36)8-20(24)28(19)18-6-4-3-5-17(18)27(37)39-28/h3-10,31-32H,11-14H2,1-2H3,(H,33,34)(H,35,36)