(Z)-4-oxidanyl-6-oxidanylidene-1,9-bis(4-sulfophenyl)non-4-ene-5-diazonium

Systemtic Name: (Z)-4-oxidanyl-6-oxidanylidene-1,9-bis(4-sulfophenyl)non-4-ene-5-diazonium Openeye Name: (Z)-4-hydroxy-6-oxo-1,9-bis(4-sulfophenyl)non-4-ene-5-diazonium CAS Name: (Z)-4-hydroxy-6-oxo-1,9-bis(4-sulfophenyl)-4-nonene-5-diazonium IUPAC Name: (Z)-4-hydroxy-6-oxo-1,9-bis(4-sulfophenyl)non-4-ene-5-diazonium Traditional Name: (Z)-4-hydroxy-6-keto-1,9-bis(4-sulfophenyl)non-4-ene-5-diazonium Formula: C21H23N2O8S2+ MolecularWeight: 495.54592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC(=C(C(=O)CCCC2=CC=C(C=C2)S(=O)(=O)O)[N+]#N)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCC/C(=C(\C(=O)CCCC2=CC=C(C=C2)S(=O)(=O)O)/[N+]#N)/O)S(=O)(=O)O

InChI

InChI=1S/C21H22N2O8S2/c22-23-21(19(24)5-1-3-15-7-11-17(12-8-15)32(26,27)28)20(25)6-2-4-16-9-13-18(14-10-16)33(29,30)31/h7-14H,1-6H2,(H2-,24,25,26,27,28,29,30,31)/p+1