ethyl-[(4Z)-4-[3-[4-[ethyl(octadecyl)amino]-2-oxidanyl-phenyl]-2-oxidanyl-4-oxidanylidene-cyclobut-2-en-1-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-ylidene]-octadecyl-azanium hydroxide

Systemtic Name: ethyl-[(4Z)-4-[3-[4-[ethyl(octadecyl)amino]-2-oxidanyl-phenyl]-2-oxidanyl-4-oxidanylidene-cyclobut-2-en-1-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-ylidene]-octadecyl-azanium hydroxide Openeye Name: ethyl-[(4Z)-4-[3-[4-[ethyl(octadecyl)amino]-2-hydroxy-phenyl]-2-hydroxy-4-oxo-cyclobut-2-en-1-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-ylidene]-octadecyl-ammonium hydroxide CAS Name: ethyl-[(4Z)-4-[3-[4-[ethyl(octadecyl)amino]-2-hydroxyphenyl]-2-hydroxy-4-oxo-1-cyclobut-2-enylidene]-3-hydroxy-1-cyclohexa-2,5-dienylidene]-octadecylammonium hydroxide IUPAC Name: ethyl-[(4Z)-4-[3-[4-[ethyl(octadecyl)amino]-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-3-hydroxycyclohexa-2,5-dien-1-ylidene]-octadecylazanium hydroxide Traditional Name: ethyl-[(4Z)-4-[3-[4-[ethyl(stearyl)amino]-2-hydroxy-phenyl]-2-hydroxy-4-keto-cyclobut-2-en-1-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-ylidene]-stearyl-ammonium hydroxide Formula: C56H94N2O5 MolecularWeight: 875.35596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CC)C1=CC(=C(C=C1)C2=C(C(=C3C=CC(=[N+](CC)CCCCCCCCCCCCCCCCCC)C=C3O)C2=O)O)O.[OH-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CC)C1=CC(=C(C=C1)C2=C(/C(=C/3\C=CC(=[N+](CC)CCCCCCCCCCCCCCCCCC)C=C3O)/C2=O)O)O.[OH-]

InChI

InChI=1S/C56H92N2O4.H2O/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43-57(7-3)47-39-41-49(51(59)45-47)53-55(61)54(56(53)62)50-42-40-48(46-52(50)60)58(8-4)44-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2;/h39-42,45-46H,5-38,43-44H2,1-4H3,(H2,59,60,61,62);1H2