(4Z)-4-(3,5-dimethyl-1-octadecyl-pyrrol-1-ium-2-ylidene)-2-(3,5-dimethyl-1-octadecyl-pyrrol-2-yl)-3-oxidanyl-cyclobut-2-en-1-one

Systemtic Name: (4Z)-4-(3,5-dimethyl-1-octadecyl-pyrrol-1-ium-2-ylidene)-2-(3,5-dimethyl-1-octadecyl-pyrrol-2-yl)-3-oxidanyl-cyclobut-2-en-1-one Openeye Name: (4Z)-4-(3,5-dimethyl-1-octadecyl-pyrrol-1-ium-2-ylidene)-2-(3,5-dimethyl-1-octadecyl-pyrrol-2-yl)-3-hydroxy-cyclobut-2-en-1-one CAS Name: (4Z)-4-(3,5-dimethyl-1-octadecyl-2-pyrrol-1-iumylidene)-2-(3,5-dimethyl-1-octadecyl-2-pyrrolyl)-3-hydroxy-1-cyclobut-2-enone IUPAC Name: (4Z)-4-(3,5-dimethyl-1-octadecylpyrrol-1-ium-2-ylidene)-2-(3,5-dimethyl-1-octadecylpyrrol-2-yl)-3-hydroxycyclobut-2-en-1-one Traditional Name: (4Z)-4-(3,5-dimethyl-1-stearyl-pyrrol-1-ium-2-ylidene)-2-(3,5-dimethyl-1-stearyl-pyrrol-2-yl)-3-hydroxy-cyclobut-2-en-1-one Formula: C52H89N2O2+ MolecularWeight: 774.27526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=CC(=C1C2=C(C(=C3C(=CC(=[N+]3CCCCCCCCCCCCCCCCCC)C)C)C2=O)O)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=CC(=C1C2=C(/C(=C/3\C(=CC(=[N+]3CCCCCCCCCCCCCCCCCC)C)C)/C2=O)O)C)C

InChI

InChI=1S/C52H88N2O2/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-53-45(5)41-43(3)49(53)47-51(55)48(52(47)56)50-44(4)42-46(6)54(50)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h41-42H,7-40H2,1-6H3/p+1