dipotassium 5-azido-2-[(E)-2-(4-azido-2-sulfonato-phenyl)-4-oxidanylidene-pent-1-enyl]benzenesulfonate

Systemtic Name: dipotassium 5-azido-2-[(E)-2-(4-azido-2-sulfonato-phenyl)-4-oxidanylidene-pent-1-enyl]benzenesulfonate Openeye Name: dipotassium 5-azido-2-[(E)-2-(4-azido-2-sulfonato-phenyl)-4-oxo-pent-1-enyl]benzenesulfonate CAS Name: dipotassium 5-azido-2-[(E)-2-(4-azido-2-sulfonatophenyl)-4-oxopent-1-enyl]benzenesulfonate IUPAC Name: dipotassium 5-azido-2-[(E)-2-(4-azido-2-sulfonatophenyl)-4-oxopent-1-enyl]benzenesulfonate Traditional Name: dipotassium 5-azido-2-[(E)-2-(4-azido-2-sulfonato-phenyl)-4-keto-pent-1-enyl]besylate Formula: C17H12K2N6O7S2 MolecularWeight: 554.63978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=CC1=C(C=C(C=C1)N=[N+]=[N-])S(=O)(=O)[O-])C2=C(C=C(C=C2)N=[N+]=[N-])S(=O)(=O)[O-].[K+].[K+]

Isomeric SMILES

CC(=O)C/C(=C\C1=C(C=C(C=C1)N=[N+]=[N-])S(=O)(=O)[O-])/C2=C(C=C(C=C2)N=[N+]=[N-])S(=O)(=O)[O-].[K+].[K+]

InChI

InChI=1S/C17H14N6O7S2.2K/c1-10(24)6-12(15-5-4-14(21-23-19)9-17(15)32(28,29)30)7-11-2-3-13(20-22-18)8-16(11)31(25,26)27;;/h2-5,7-9H,6H2,1H3,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2/b12-7+;;