4-azanyl-6-(2-bromanylprop-2-enoylamino)benzene-1,3-disulfonic acid

Systemtic Name: 4-azanyl-6-(2-bromanylprop-2-enoylamino)benzene-1,3-disulfonic acid Openeye Name: 4-amino-6-(2-bromoprop-2-enoylamino)benzene-1,3-disulfonic acid CAS Name: 4-amino-6-[(2-bromo-1-oxoprop-2-enyl)amino]benzene-1,3-disulfonic acid IUPAC Name: 4-amino-6-(2-bromoprop-2-enoylamino)benzene-1,3-disulfonic acid Traditional Name: 4-amino-6-[(2-bromoacryloyl)amino]benzene-1,3-disulfonic acid Formula: C9H9BrN2O7S2 MolecularWeight: 401.21096

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(=O)NC1=C(C=C(C(=C1)N)S(=O)(=O)O)S(=O)(=O)O)Br

Isomeric SMILES

C=C(C(=O)NC1=C(C=C(C(=C1)N)S(=O)(=O)O)S(=O)(=O)O)Br

InChI

InChI=1S/C9H9BrN2O7S2/c1-4(10)9(13)12-6-2-5(11)7(20(14,15)16)3-8(6)21(17,18)19/h2-3H,1,11H2,(H,12,13)(H,14,15,16)(H,17,18,19)