1-[2-(2-bromanylprop-2-enoylamino)ethyl]-2-oxidanyl-6-oxidanylidene-4-(4-sulfophenyl)pyridine-3-sulfonic acid

Systemtic Name: 1-[2-(2-bromanylprop-2-enoylamino)ethyl]-2-oxidanyl-6-oxidanylidene-4-(4-sulfophenyl)pyridine-3-sulfonic acid Openeye Name: 1-[2-(2-bromoprop-2-enoylamino)ethyl]-2-hydroxy-6-oxo-4-(4-sulfophenyl)pyridine-3-sulfonic acid CAS Name: 1-[2-[(2-bromo-1-oxoprop-2-enyl)amino]ethyl]-2-hydroxy-6-oxo-4-(4-sulfophenyl)-3-pyridinesulfonic acid IUPAC Name: 1-[2-(2-bromoprop-2-enoylamino)ethyl]-2-hydroxy-6-oxo-4-(4-sulfophenyl)pyridine-3-sulfonic acid Traditional Name: 1-[2-[(2-bromoacryloyl)amino]ethyl]-2-hydroxy-6-keto-4-(4-sulfophenyl)pyridine-3-sulfonic acid Formula: C16H15BrN2O9S2 MolecularWeight: 523.3323

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(=O)NCCN1C(=O)C=C(C(=C1O)S(=O)(=O)O)C2=CC=C(C=C2)S(=O)(=O)O)Br

Isomeric SMILES

C=C(C(=O)NCCN1C(=O)C=C(C(=C1O)S(=O)(=O)O)C2=CC=C(C=C2)S(=O)(=O)O)Br

InChI

InChI=1S/C16H15BrN2O9S2/c1-9(17)15(21)18-6-7-19-13(20)8-12(14(16(19)22)30(26,27)28)10-2-4-11(5-3-10)29(23,24)25/h2-5,8,22H,1,6-7H2,(H,18,21)(H,23,24,25)(H,26,27,28)