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

Systemtic Name: 2-[[7'-[[bis(carboxymethyl)amino]methyl]-3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[7'-[[bis(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-2'-yl]methyl-(carboxymethyl)amino]acetic acid CAS Name: 2-[[7'-[[bis(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-oxo-2'-spiro[isobenzofuran-1,9'-xanthene]yl]methyl-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[7'-[[bis(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl-(carboxymethyl)amino]acetic acid Traditional Name: 2-[[7'-[[bis(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-keto-spiro[phthalan-1,9'-xanthene]-2'-yl]methyl-(carboxymethyl)amino]acetic acid Formula: C30H26N2O13 MolecularWeight: 622.53304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C=C4OC5=CC(=C(C=C35)CN(CC(=O)O)CC(=O)O)O)O)CN(CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C=C4OC5=CC(=C(C=C35)CN(CC(=O)O)CC(=O)O)O)O)CN(CC(=O)O)CC(=O)O

InChI

InChI=1S/C30H26N2O13/c33-21-7-23-19(5-15(21)9-31(11-25(35)36)12-26(37)38)30(18-4-2-1-3-17(18)29(43)45-30)20-6-16(22(34)8-24(20)44-23)10-32(13-27(39)40)14-28(41)42/h1-8,33-34H,9-14H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)