5-azido-2-[(E)-2-(4-azido-2-sulfo-phenyl)-4-oxidanylidene-pent-1-enyl]benzenesulfonic acid

Systemtic Name: 5-azido-2-[(E)-2-(4-azido-2-sulfo-phenyl)-4-oxidanylidene-pent-1-enyl]benzenesulfonic acid Openeye Name: 5-azido-2-[(E)-2-(4-azido-2-sulfo-phenyl)-4-oxo-pent-1-enyl]benzenesulfonic acid CAS Name: 5-azido-2-[(E)-2-(4-azido-2-sulfophenyl)-4-oxopent-1-enyl]benzenesulfonic acid IUPAC Name: 5-azido-2-[(E)-2-(4-azido-2-sulfophenyl)-4-oxopent-1-enyl]benzenesulfonic acid Traditional Name: 5-azido-2-[(E)-2-(4-azido-2-sulfo-phenyl)-4-keto-pent-1-enyl]besylic acid Formula: C17H14N6O7S2 MolecularWeight: 478.45906

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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

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

InChI

InChI=1S/C17H14N6O7S2/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)/b12-7+