(2Z,6Z)-3,7,11-trimethyl-1-(3-oxidanidylbenzotriazol-3-ium-1-yl)dodeca-2,6,10-trien-1-one

Systemtic Name: (2Z,6Z)-3,7,11-trimethyl-1-(3-oxidanidylbenzotriazol-3-ium-1-yl)dodeca-2,6,10-trien-1-one Openeye Name: (2Z,6Z)-3,7,11-trimethyl-1-(3-oxidobenzotriazol-3-ium-1-yl)dodeca-2,6,10-trien-1-one CAS Name: (2Z,6Z)-3,7,11-trimethyl-1-(3-oxido-1-benzotriazol-3-iumyl)-1-dodeca-2,6,10-trienone IUPAC Name: (2Z,6Z)-3,7,11-trimethyl-1-(3-oxidobenzotriazol-3-ium-1-yl)dodeca-2,6,10-trien-1-one Traditional Name: (2Z,6Z)-3,7,11-trimethyl-1-(3-oxidobenzotriazol-3-ium-1-yl)dodeca-2,6,10-trien-1-one Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CC(=O)N1C2=CC=CC=C2[N+](=N1)[O-])C)C)C

Isomeric SMILES

CC(=CCC/C(=C\CC/C(=C\C(=O)N1C2=CC=CC=C2[N+](=N1)[O-])/C)/C)C

InChI

InChI=1S/C21H27N3O2/c1-16(2)9-7-10-17(3)11-8-12-18(4)15-21(25)23-19-13-5-6-14-20(19)24(26)22-23/h5-6,9,11,13-15H,7-8,10,12H2,1-4H3/b17-11-,18-15-