[4-[[2,3,6-trimethyl-4-[(2,3,4,5-tetramethylphenyl)methyl]pyridin-1-ium-1-yl]methyl]phenyl]methyl 2-methyl-4-[[3-methyl-4-[[4-[[2,3,6-trimethyl-4-[(1,2,3,6-tetramethylpyridin-1-ium-4-yl)methyl]pyridin-1-ium-1-yl]methyl]phenyl]methoxycarbonyl]cyclopent-3-en-1-ylidene]methylidene]cyclopentene-1-carboxylate

Systemtic Name: [4-[[2,3,6-trimethyl-4-[(2,3,4,5-tetramethylphenyl)methyl]pyridin-1-ium-1-yl]methyl]phenyl]methyl 2-methyl-4-[[3-methyl-4-[[4-[[2,3,6-trimethyl-4-[(1,2,3,6-tetramethylpyridin-1-ium-4-yl)methyl]pyridin-1-ium-1-yl]methyl]phenyl]methoxycarbonyl]cyclopent-3-en-1-ylidene]methylidene]cyclopentene-1-carboxylate Openeye Name: [4-[[2,3,6-trimethyl-4-[(2,3,4,5-tetramethylphenyl)methyl]pyridin-1-ium-1-yl]methyl]phenyl]methyl 2-methyl-4-[[3-methyl-4-[[4-[[2,3,6-trimethyl-4-[(1,2,3,6-tetramethylpyridin-1-ium-4-yl)methyl]pyridin-1-ium-1-yl]methyl]phenyl]methoxycarbonyl]cyclopent-3-en-1-ylidene]methylene]cyclopentene-1-carboxylate CAS Name: 2-methyl-4-[[3-methyl-4-[oxo-[[4-[[2,3,6-trimethyl-4-[(1,2,3,6-tetramethyl-4-pyridin-1-iumyl)methyl]-1-pyridin-1-iumyl]methyl]phenyl]methoxy]methyl]-1-cyclopent-3-enylidene]methylidene]-1-cyclopentenecarboxylic acid [4-[[2,3,6-trimethyl-4-[(2,3,4,5-tetramethylphenyl)methyl]-1-pyridin-1-iumyl]methyl]phenyl]methyl ester IUPAC Name: [4-[[2,3,6-trimethyl-4-[(2,3,4,5-tetramethylphenyl)methyl]pyridin-1-ium-1-yl]methyl]phenyl]methyl 2-methyl-4-[[3-methyl-4-[[4-[[2,3,6-trimethyl-4-[(1,2,3,6-tetramethylpyridin-1-ium-4-yl)methyl]pyridin-1-ium-1-yl]methyl]phenyl]methoxycarbonyl]cyclopent-3-en-1-ylidene]methylidene]cyclopentene-1-carboxylate Traditional Name: 2-methyl-4-[[3-methyl-4-[4-[[2,3,6-trimethyl-4-[(1,2,3,6-tetramethylpyridin-1-ium-4-yl)methyl]pyridin-1-ium-1-yl]methyl]benzyl]oxycarbonyl-cyclopent-3-en-1-ylidene]methylene]cyclopentene-1-carboxylic acid [4-[[2,3,6-trimethyl-4-(2,3,4,5-tetramethylbenzyl)pyridin-1-ium-1-yl]methyl]benzyl] ester Formula: C68H80N3O4+3 MolecularWeight: 1003.3805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(=C=C2CC(=C(C2)C(=O)OCC3=CC=C(C=C3)C[N+]4=C(C=C(C(=C4C)C)CC5=C(C(=C(C(=C5)C)C)C)C)C)C)C1)C(=O)OCC6=CC=C(C=C6)C[N+]7=C(C=C(C(=C7C)C)CC8=CC(=[N+](C(=C8C)C)C)C)C

Isomeric SMILES

CC1=C(CC(=C=C2CC(=C(C2)C(=O)OCC3=CC=C(C=C3)C[N+]4=C(C=C(C(=C4C)C)CC5=C(C(=C(C(=C5)C)C)C)C)C)C)C1)C(=O)OCC6=CC=C(C=C6)C[N+]7=C(C=C(C(=C7C)C)CC8=CC(=[N+](C(=C8C)C)C)C)C

InChI

InChI=1S/C68H80N3O4/c1-40-27-61(48(9)47(8)46(40)7)34-63-29-44(5)70(53(14)50(63)11)36-55-17-21-57(22-18-55)38-74-67(72)65-32-59(25-41(65)2)31-60-26-42(3)66(33-60)68(73)75-39-58-23-19-56(20-24-58)37-71-45(6)30-64(51(12)54(71)15)35-62-28-43(4)69(16)52(13)49(62)10/h17-24,27-30H,25-26,32-39H2,1-16H3/q+3