2-[[6-bromanyl-4-(hydroxymethyl)-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[6-bromanyl-4-(hydroxymethyl)-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[6-bromo-7-hydroxy-4-(hydroxymethyl)-2-oxo-chromen-8-yl]methyl-(carboxymethyl)amino]acetic acid CAS Name: 2-[[6-bromo-7-hydroxy-4-(hydroxymethyl)-2-oxo-1-benzopyran-8-yl]methyl-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[6-bromo-7-hydroxy-4-(hydroxymethyl)-2-oxochromen-8-yl]methyl-(carboxymethyl)amino]acetic acid Traditional Name: 2-[(6-bromo-7-hydroxy-2-keto-4-methylol-chromen-8-yl)methyl-(carboxymethyl)amino]acetic acid Formula: C15H14BrNO8 MolecularWeight: 416.17756

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=CC(=C(C(=C2OC1=O)CN(CC(=O)O)CC(=O)O)O)Br)CO

Isomeric SMILES

C1=C(C2=CC(=C(C(=C2OC1=O)CN(CC(=O)O)CC(=O)O)O)Br)CO

InChI

InChI=1S/C15H14BrNO8/c16-10-2-8-7(6-18)1-13(23)25-15(8)9(14(10)24)3-17(4-11(19)20)5-12(21)22/h1-2,18,24H,3-6H2,(H,19,20)(H,21,22)