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

Systemtic Name: (4Z)-4-(4-ethyl-3,5-dimethyl-1-octadecyl-pyrrol-1-ium-2-ylidene)-2-(4-ethyl-3,5-dimethyl-1-octadecyl-pyrrol-2-yl)-3-oxidanyl-cyclobut-2-en-1-one Openeye Name: (4Z)-4-(4-ethyl-3,5-dimethyl-1-octadecyl-pyrrol-1-ium-2-ylidene)-2-(4-ethyl-3,5-dimethyl-1-octadecyl-pyrrol-2-yl)-3-hydroxy-cyclobut-2-en-1-one CAS Name: (4Z)-4-(4-ethyl-3,5-dimethyl-1-octadecyl-2-pyrrol-1-iumylidene)-2-(4-ethyl-3,5-dimethyl-1-octadecyl-2-pyrrolyl)-3-hydroxy-1-cyclobut-2-enone IUPAC Name: (4Z)-4-(4-ethyl-3,5-dimethyl-1-octadecylpyrrol-1-ium-2-ylidene)-2-(4-ethyl-3,5-dimethyl-1-octadecylpyrrol-2-yl)-3-hydroxycyclobut-2-en-1-one Traditional Name: (4Z)-4-(4-ethyl-3,5-dimethyl-1-stearyl-pyrrol-1-ium-2-ylidene)-2-(4-ethyl-3,5-dimethyl-1-stearyl-pyrrol-2-yl)-3-hydroxy-cyclobut-2-en-1-one Formula: C56H97N2O2+ MolecularWeight: 830.38158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C56H96N2O2/c1-9-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-57-47(7)49(11-3)45(5)53(57)51-55(59)52(56(51)60)54-46(6)50(12-4)48(8)58(54)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-10-2/h9-44H2,1-8H3/p+1