1,3-bis[5-(3,6,7,10,11-pentabutoxytriphenylen-2-yl)oxypentyl]imidazol-1-ium

Systemtic Name: 1,3-bis[5-(3,6,7,10,11-pentabutoxytriphenylen-2-yl)oxypentyl]imidazol-1-ium Openeye Name: 1,3-bis[5-(3,6,7,10,11-pentabutoxytriphenylen-2-yl)oxypentyl]imidazol-1-ium CAS Name: 1,3-bis[5-[(3,6,7,10,11-pentabutoxy-2-triphenylenyl)oxy]pentyl]imidazol-1-ium IUPAC Name: 1,3-bis[5-(3,6,7,10,11-pentabutoxytriphenylen-2-yl)oxypentyl]imidazol-1-ium Traditional Name: 1,3-bis[5-(3,6,7,10,11-pentabutoxytriphenylen-2-yl)oxypentyl]imidazol-1-ium Formula: C89H125N2O12+ MolecularWeight: 1414.951

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OCCCC)OCCCCCN5C=C[N+](=C5)CCCCCOC6=C(C=C7C8=CC(=C(C=C8C9=CC(=C(C=C9C7=C6)OCCCC)OCCCC)OCCCC)OCCCC)OCCCC)OCCCC)OCCCC)OCCCC

Isomeric SMILES

CCCCOC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OCCCC)OCCCCCN5C=C[N+](=C5)CCCCCOC6=C(C=C7C8=CC(=C(C=C8C9=CC(=C(C=C9C7=C6)OCCCC)OCCCC)OCCCC)OCCCC)OCCCC)OCCCC)OCCCC)OCCCC

InChI

InChI=1S/C89H125N2O12/c1-11-21-41-92-78-53-66-68-55-80(94-43-23-13-3)84(98-47-27-17-7)59-72(68)76-63-88(86(100-49-29-19-9)61-74(76)70(66)57-82(78)96-45-25-15-5)102-51-35-31-33-37-90-39-40-91(65-90)38-34-32-36-52-103-89-64-77-73-60-85(99-48-28-18-8)81(95-44-24-14-4)56-69(73)67-54-79(93-42-22-12-2)83(97-46-26-16-6)58-71(67)75(77)62-87(89)101-50-30-20-10/h39-40,53-65H,11-38,41-52H2,1-10H3/q+1