5-azido-2-[(E)-3-(4-azidophenyl)-2-sulfo-prop-2-enoyl]benzenesulfonic acid

Systemtic Name: 5-azido-2-[(E)-3-(4-azidophenyl)-2-sulfo-prop-2-enoyl]benzenesulfonic acid Openeye Name: 5-azido-2-[(E)-3-(4-azidophenyl)-2-sulfo-prop-2-enoyl]benzenesulfonic acid CAS Name: 5-azido-2-[(E)-3-(4-azidophenyl)-1-oxo-2-sulfoprop-2-enyl]benzenesulfonic acid IUPAC Name: 5-azido-2-[(E)-3-(4-azidophenyl)-2-sulfoprop-2-enoyl]benzenesulfonic acid Traditional Name: 5-azido-2-[(E)-3-(4-azidophenyl)-2-sulfo-acryloyl]besylic acid Formula: C15H10N6O7S2 MolecularWeight: 450.4059

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C(=O)C2=C(C=C(C=C2)N=[N+]=[N-])S(=O)(=O)O)S(=O)(=O)O)N=[N+]=[N-]

Isomeric SMILES

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

InChI

InChI=1S/C15H10N6O7S2/c16-20-18-10-3-1-9(2-4-10)7-14(30(26,27)28)15(22)12-6-5-11(19-21-17)8-13(12)29(23,24)25/h1-8H,(H,23,24,25)(H,26,27,28)/b14-7+