2-[[6-bromanyl-7-oxidanyl-2-oxidanylidene-4-(2-phenyl-1,3-dioxolan-4-yl)chromen-8-yl]methyl-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[6-bromanyl-7-oxidanyl-2-oxidanylidene-4-(2-phenyl-1,3-dioxolan-4-yl)chromen-8-yl]methyl-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[6-bromo-7-hydroxy-2-oxo-4-(2-phenyl-1,3-dioxolan-4-yl)chromen-8-yl]methyl-(carboxymethyl)amino]acetic acid CAS Name: 2-[[6-bromo-7-hydroxy-2-oxo-4-(2-phenyl-1,3-dioxolan-4-yl)-1-benzopyran-8-yl]methyl-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[6-bromo-7-hydroxy-2-oxo-4-(2-phenyl-1,3-dioxolan-4-yl)chromen-8-yl]methyl-(carboxymethyl)amino]acetic acid Traditional Name: 2-[[6-bromo-7-hydroxy-2-keto-4-(2-phenyl-1,3-dioxolan-4-yl)chromen-8-yl]methyl-(carboxymethyl)amino]acetic acid Formula: C23H20BrNO9 MolecularWeight: 534.3102

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(O1)C2=CC=CC=C2)C3=CC(=O)OC4=C(C(=C(C=C34)Br)O)CN(CC(=O)O)CC(=O)O

Isomeric SMILES

C1C(OC(O1)C2=CC=CC=C2)C3=CC(=O)OC4=C(C(=C(C=C34)Br)O)CN(CC(=O)O)CC(=O)O

InChI

InChI=1S/C23H20BrNO9/c24-16-6-14-13(17-11-32-23(33-17)12-4-2-1-3-5-12)7-20(30)34-22(14)15(21(16)31)8-25(9-18(26)27)10-19(28)29/h1-7,17,23,31H,8-11H2,(H,26,27)(H,28,29)