sodium; (E)-3-(2-azidophenyl)-1-(4-ethenylphenyl)-3-oxidanylidene-prop-1-ene-2-sulfonate; (E)-but-2-enedioic acid

Systemtic Name: sodium; (E)-3-(2-azidophenyl)-1-(4-ethenylphenyl)-3-oxidanylidene-prop-1-ene-2-sulfonate; (E)-but-2-enedioic acid Openeye Name: sodium; (E)-3-(2-azidophenyl)-3-oxo-1-(4-vinylphenyl)prop-1-ene-2-sulfonate; fumaric acid CAS Name: sodium; (E)-3-(2-azidophenyl)-1-(4-ethenylphenyl)-3-oxo-1-propene-2-sulfonate; (E)-2-butenedioic acid IUPAC Name: sodium; (E)-3-(2-azidophenyl)-1-(4-ethenylphenyl)-3-oxoprop-1-ene-2-sulfonate; (E)-but-2-enedioic acid Traditional Name: sodium; (E)-3-(2-azidophenyl)-3-keto-1-(4-vinylphenyl)prop-1-ene-2-sulfonate; fumaric acid Formula: C21H16N3NaO8S MolecularWeight: 493.42181

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=C(C=C1)C=C(C(=O)C2=CC=CC=C2N=[N+]=[N-])S(=O)(=O)[O-].C(=CC(=O)O)C(=O)O.[Na+]

Isomeric SMILES

C=CC1=CC=C(C=C1)/C=C(\C(=O)C2=CC=CC=C2N=[N+]=[N-])/S(=O)(=O)[O-].C(=C/C(=O)O)\C(=O)O.[Na+]

InChI

InChI=1S/C17H13N3O4S.C4H4O4.Na/c1-2-12-7-9-13(10-8-12)11-16(25(22,23)24)17(21)14-5-3-4-6-15(14)19-20-18;5-3(6)1-2-4(7)8;/h2-11H,1H2,(H,22,23,24);1-2H,(H,5,6)(H,7,8);/q;;+1/p-1/b16-11+;2-1+;