2-[2-[4-[2-[bis(carboxymethyl)amino]ethyl]-3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]ethyl-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[2-[4-[2-[bis(carboxymethyl)amino]ethyl]-3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]ethyl-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[2-[4-[2-[bis(carboxymethyl)amino]ethyl]-3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-yl]ethyl-(carboxymethyl)amino]acetic acid CAS Name: 2-[2-[4-[2-[bis(carboxymethyl)amino]ethyl]-3',6'-dihydroxy-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]yl]ethyl-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[2-[4-[2-[bis(carboxymethyl)amino]ethyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl]ethyl-(carboxymethyl)amino]acetic acid Traditional Name: 2-[2-[4-[2-[bis(carboxymethyl)amino]ethyl]-3',6'-dihydroxy-3-keto-spiro[phthalan-1,9'-xanthene]-5-yl]ethyl-(carboxymethyl)amino]acetic acid Formula: C32H30N2O13 MolecularWeight: 650.5862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)OC3=C(C24C5=C(C(=C(C=C5)CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O)C(=O)O4)C=CC(=C3)O

Isomeric SMILES

C1=CC2=C(C=C1O)OC3=C(C24C5=C(C(=C(C=C5)CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O)C(=O)O4)C=CC(=C3)O

InChI

InChI=1S/C32H30N2O13/c35-18-2-5-21-24(11-18)46-25-12-19(36)3-6-22(25)32(21)23-4-1-17(7-9-33(13-26(37)38)14-27(39)40)20(30(23)31(45)47-32)8-10-34(15-28(41)42)16-29(43)44/h1-6,11-12,35-36H,7-10,13-16H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)