(2S)-2-[(6-bromanyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methoxycarbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[(6-bromanyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methoxycarbonylamino]pentanedioic acid Openeye Name: (2S)-2-[(6-bromo-7-hydroxy-2-oxo-chromen-4-yl)methoxycarbonylamino]pentanedioic acid CAS Name: (2S)-2-[[(6-bromo-7-hydroxy-2-oxo-1-benzopyran-4-yl)methoxy-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[(6-bromo-7-hydroxy-2-oxochromen-4-yl)methoxycarbonylamino]pentanedioic acid Traditional Name: (2S)-2-[(6-bromo-7-hydroxy-2-keto-chromen-4-yl)methoxycarbonylamino]glutaric acid Formula: C16H14BrNO9 MolecularWeight: 444.18766

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=CC(=C(C=C2OC1=O)O)Br)COC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=C(C2=CC(=C(C=C2OC1=O)O)Br)COC(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C16H14BrNO9/c17-9-4-8-7(3-14(22)27-12(8)5-11(9)19)6-26-16(25)18-10(15(23)24)1-2-13(20)21/h3-5,10,19H,1-2,6H2,(H,18,25)(H,20,21)(H,23,24)/t10-/m0/s1