(E)-2-diazonio-1-[9-(4-hexylphenyl)carbonyl-1,2,3,4-tetrahydrocarbazol-3-yl]ethenolate

Systemtic Name: (E)-2-diazonio-1-[9-(4-hexylphenyl)carbonyl-1,2,3,4-tetrahydrocarbazol-3-yl]ethenolate Openeye Name: (E)-2-diazonio-1-[9-(4-hexylbenzoyl)-1,2,3,4-tetrahydrocarbazol-3-yl]ethenolate CAS Name: (E)-2-diazonio-1-[9-[(4-hexylphenyl)-oxomethyl]-1,2,3,4-tetrahydrocarbazol-3-yl]ethenolate IUPAC Name: (E)-2-diazonio-1-[9-(4-hexylbenzoyl)-1,2,3,4-tetrahydrocarbazol-3-yl]ethenolate Traditional Name: (E)-2-diazonio-1-[9-(4-hexylbenzoyl)-1,2,3,4-tetrahydrocarbazol-3-yl]ethenolate Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N2C3=C(CC(CC3)C(=C[N+]#N)[O-])C4=CC=CC=C42

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N2C3=C(CC(CC3)/C(=C\[N+]#N)/[O-])C4=CC=CC=C42

InChI

InChI=1S/C27H29N3O2/c1-2-3-4-5-8-19-11-13-20(14-12-19)27(32)30-24-10-7-6-9-22(24)23-17-21(15-16-25(23)30)26(31)18-29-28/h6-7,9-14,18,21H,2-5,8,15-17H2,1H3/b26-18+