3-diazonio-1a-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-methyl-7a-(3-methylbut-2-enyl)-4-oxidanyl-2,7-bis(oxidanylidene)naphtho[6,7-b]oxiren-6-olate

Systemtic Name: 3-diazonio-1a-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-methyl-7a-(3-methylbut-2-enyl)-4-oxidanyl-2,7-bis(oxidanylidene)naphtho[6,7-b]oxiren-6-olate Openeye Name: 3-diazonio-1a-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxy-5-methyl-7a-(3-methylbut-2-enyl)-2,7-dioxo-naphtho[6,7-b]oxiren-6-olate CAS Name: 3-diazonio-1a-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxy-5-methyl-7a-(3-methylbut-2-enyl)-2,7-dioxo-6-naphtho[6,7-b]oxirenolate IUPAC Name: 3-diazonio-1a-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxy-5-methyl-7a-(3-methylbut-2-enyl)-2,7-dioxonaphtho[6,7-b]oxiren-6-olate Traditional Name: 3-diazonio-1a-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxy-2,7-diketo-5-methyl-7a-(3-methylbut-2-enyl)naphtho[6,7-b]oxiren-6-olate Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=C1O)[N+]#N)C(=O)C3(C(C2=O)(O3)CC=C(C)C)CC=C(C)CCC=C(C)C)[O-]

Isomeric SMILES

CC1=C(C2=C(C(=C1O)[N+]#N)C(=O)C3(C(C2=O)(O3)CC=C(C)C)C/C=C(\C)/CCC=C(C)C)[O-]

InChI

InChI=1S/C26H30N2O5/c1-14(2)8-7-9-16(5)11-13-26-23(31)18-19(21(29)17(6)22(30)20(18)28-27)24(32)25(26,33-26)12-10-15(3)4/h8,10-11H,7,9,12-13H2,1-6H3,(H-,29,30,32)/b16-11+