sodium 3-azido-2-ethenyl-6-[(2E,4E)-5-phenylpenta-2,4-dienoyl]benzenesulfonate

Systemtic Name: sodium 3-azido-2-ethenyl-6-[(2E,4E)-5-phenylpenta-2,4-dienoyl]benzenesulfonate Openeye Name: sodium 3-azido-6-[(2E,4E)-5-phenylpenta-2,4-dienoyl]-2-vinyl-benzenesulfonate CAS Name: sodium 3-azido-2-ethenyl-6-[(2E,4E)-1-oxo-5-phenylpenta-2,4-dienyl]benzenesulfonate IUPAC Name: sodium 3-azido-2-ethenyl-6-[(2E,4E)-5-phenylpenta-2,4-dienoyl]benzenesulfonate Traditional Name: sodium 3-azido-6-[(2E,4E)-5-phenylpenta-2,4-dienoyl]-2-vinyl-besylate Formula: C19H14N3NaO4S MolecularWeight: 403.38693

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=C(C=CC(=C1S(=O)(=O)[O-])C(=O)C=CC=CC2=CC=CC=C2)N=[N+]=[N-].[Na+]

Isomeric SMILES

C=CC1=C(C=CC(=C1S(=O)(=O)[O-])C(=O)/C=C/C=C/C2=CC=CC=C2)N=[N+]=[N-].[Na+]

InChI

InChI=1S/C19H15N3O4S.Na/c1-2-15-17(21-22-20)13-12-16(19(15)27(24,25)26)18(23)11-7-6-10-14-8-4-3-5-9-14;/h2-13H,1H2,(H,24,25,26);/q;+1/p-1/b10-6+,11-7+;