(E)-2-diazonio-1-[2-[(E)-2-diazonio-1-oxidanidyl-ethenyl]-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutyl]ethenolate

Systemtic Name: (E)-2-diazonio-1-[2-[(E)-2-diazonio-1-oxidanidyl-ethenyl]-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutyl]ethenolate Openeye Name: (E)-2-diazonio-1-[2-[(E)-2-diazonio-1-oxido-vinyl]-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutyl]ethenolate CAS Name: (E)-2-diazonio-1-[2-[(E)-2-diazonio-1-oxidoethenyl]-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]cyclobutyl]ethenolate IUPAC Name: (E)-2-diazonio-1-[2-[(E)-2-diazonio-1-oxidoethenyl]-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutyl]ethenolate Traditional Name: (E)-2-diazonio-1-[2-[(E)-2-diazonio-1-oxido-vinyl]-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutyl]ethenolate Formula: C42H42N6O6 MolecularWeight: 726.81948

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5)C(=C[N+]#N)[O-])C(=C[N+]#N)[O-]

Isomeric SMILES

CCCN(C(=O)C1C(C(C1/C(=C\[N+]#N)/[O-])/C(=C\[N+]#N)/[O-])C(=O)N(CC2=CC=C(C=C2)OC3=CC=CC=C3)CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C42H42N6O6/c1-3-23-47(27-29-15-19-33(20-16-29)53-31-11-7-5-8-12-31)41(51)39-37(35(49)25-45-43)38(36(50)26-46-44)40(39)42(52)48(24-4-2)28-30-17-21-34(22-18-30)54-32-13-9-6-10-14-32/h5-22,25-26,37-40H,3-4,23-24,27-28H2,1-2H3/b35-25+,36-26+