CAS RN: 110744-65-5
CAS Name: 2-hydroxy-3,5-dimethyl-6-[(2E,4E,7E)-4,6,8,10,12-pentamethyl-9-oxotetradeca-2,4,7-trien-2-yl]-4-pyranone
OPENEYE Name: 2-[(1E,3E,6E)-1,3,5,7,9,11-hexamethyl-8-oxo-trideca-1,3,6-trienyl]-6-hydroxy-3,5-dimethyl-pyran-4-one
IUPAC Name: 2-hydroxy-3,5-dimethyl-6-[(2E,4E,7E)-4,6,8,10,12-pentamethyl-9-oxotetradeca-2,4,7-trien-2-yl]pyran-4-one
SYSTEMATIC NAME: 3,5-dimethyl-2-oxidanyl-6-[(2E,4E,7E)-4,6,8,10,12-pentamethyl-9-oxidanylidene-tetradeca-2,4,7-trien-2-yl]pyran-4-one
MOLECULAR FORMULA: C26H38O4
MOLECULAR WEIGHT: 414.57752
SMILES: CCC(C)CC(C)C(=O)/C(=C/C(C)/C=C(\C)/C=C(\C)/C1=C(C(=O)C(=C(O1)O)C)C)/C
Structure:
CAS RN: 110592-57-9
CAS Name: (Z)-3-chloro-4-ethoxy-4-oxo-2-butenoic acid
OPENEYE Name: (Z)-3-chloro-4-ethoxy-4-oxo-but-2-enoic acid
IUPAC Name: (Z)-3-chloro-4-ethoxy-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (Z)-3-chloranyl-4-ethoxy-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C6H7ClO4
MOLECULAR WEIGHT: 178.57038
SMILES: CCOC(=O)/C(=C/C(=O)O)/Cl
Structure:
CAS RN: 110549-63-8
CAS Name: 6-[(1E,3E,5E,7E)-8-[(2S,3S,4S,5S)-3,4-dihydroxy-2,4,5-trimethyl-2-oxolanyl]-7-methylocta-1,3,5,7-tetraenyl]-4-methoxy-5-methyl-2-pyranone
OPENEYE Name: 6-[(1E,3E,5E,7E)-8-[(2S,3S,4S,5S)-3,4-dihydroxy-2,4,5-trimethyl-tetrahydrofuran-2-yl]-7-methyl-octa-1,3,5,7-tetraenyl]-4-methoxy-5-methyl-pyran-2-one
IUPAC Name: 6-[(1E,3E,5E,7E)-8-[(2S,3S,4S,5S)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]-7-methylocta-1,3,5,7-tetraenyl]-4-methoxy-5-methylpyran-2-one
SYSTEMATIC NAME: 4-methoxy-5-methyl-6-[(1E,3E,5E,7E)-7-methyl-8-[(2S,3S,4S,5S)-2,4,5-trimethyl-3,4-bis(oxidanyl)oxolan-2-yl]octa-1,3,5,7-tetraenyl]pyran-2-one
MOLECULAR FORMULA: C23H30O6
MOLECULAR WEIGHT: 402.4807
SMILES: C[C@H]1[C@@]([C@@H]([C@](O1)(C)/C=C(\C)/C=C/C=C/C=C/C2=C(C(=CC(=O)O2)OC)C)O)(C)O
Structure:
CAS RN: 110508-52-6
CAS Name: 1-[[(1S,3R)-3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]methyl]-3-phenoxybenzene
OPENEYE Name: 1-[[(1S,3R)-3-[(E)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropyl]methyl]-3-phenoxy-benzene
IUPAC Name: 1-[[(1S,3R)-3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]methyl]-3-phenoxybenzene
SYSTEMATIC NAME: 1-[[(1S,3R)-3-[(E)-2-chloranyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropyl]methyl]-3-phenoxy-benzene
MOLECULAR FORMULA: C21H20ClF3O
MOLECULAR WEIGHT: 380.83111
SMILES: CC1([C@H]([C@@H]1/C=C(\C(F)(F)F)/Cl)CC2=CC(=CC=C2)OC3=CC=CC=C3)C
Structure:
CAS RN: 110508-51-5
CAS Name: 1-[[(1S,3S)-3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]methyl]-3-phenoxybenzene
OPENEYE Name: 1-[[(1S,3S)-3-[(E)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropyl]methyl]-3-phenoxy-benzene
IUPAC Name: 1-[[(1S,3S)-3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]methyl]-3-phenoxybenzene
SYSTEMATIC NAME: 1-[[(1S,3S)-3-[(E)-2-chloranyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropyl]methyl]-3-phenoxy-benzene
MOLECULAR FORMULA: C21H20ClF3O
MOLECULAR WEIGHT: 380.83111
SMILES: CC1([C@H]([C@H]1/C=C(\C(F)(F)F)/Cl)CC2=CC(=CC=C2)OC3=CC=CC=C3)C
Structure:
CAS RN: 110508-50-4
CAS Name: 1-[[(1S,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]methyl]-3-phenoxybenzene
OPENEYE Name: 1-[[(1S,3R)-3-[(Z)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropyl]methyl]-3-phenoxy-benzene
IUPAC Name: 1-[[(1S,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]methyl]-3-phenoxybenzene
SYSTEMATIC NAME: 1-[[(1S,3R)-3-[(Z)-2-chloranyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropyl]methyl]-3-phenoxy-benzene
MOLECULAR FORMULA: C21H20ClF3O
MOLECULAR WEIGHT: 380.83111
SMILES: CC1([C@H]([C@@H]1/C=C(/C(F)(F)F)\Cl)CC2=CC(=CC=C2)OC3=CC=CC=C3)C
Structure:
CAS RN: 110508-49-1
CAS Name: (1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester
OPENEYE Name: (3-phenoxyphenyl)methyl (1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: (3-phenoxyphenyl)methyl (1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: (3-phenoxyphenyl)methyl (1S,3S)-3-[(Z)-2-chloranyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C22H20ClF3O3
MOLECULAR WEIGHT: 424.84061
SMILES: CC1([C@@H]([C@@H]1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)/C=C(/C(F)(F)F)\Cl)C
Structure:
CAS RN: 110457-98-2
CAS Name: 1-[[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]methyl]-3-phenoxybenzene
OPENEYE Name: 1-[[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropyl]methyl]-3-phenoxy-benzene
IUPAC Name: 1-[[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]methyl]-3-phenoxybenzene
SYSTEMATIC NAME: 1-[[(1S,3S)-3-[(Z)-2-chloranyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropyl]methyl]-3-phenoxy-benzene
MOLECULAR FORMULA: C21H20ClF3O
MOLECULAR WEIGHT: 380.83111
SMILES: CC1([C@H]([C@H]1/C=C(/C(F)(F)F)\Cl)CC2=CC(=CC=C2)OC3=CC=CC=C3)C
Structure:
CAS RN: 110457-96-0
CAS Name: 1-phenoxy-3-[(E)-2-(3-phenoxyphenyl)ethenyl]benzene
OPENEYE Name: 1-phenoxy-3-[(E)-2-(3-phenoxyphenyl)vinyl]benzene
IUPAC Name: 1-phenoxy-3-[(E)-2-(3-phenoxyphenyl)ethenyl]benzene
SYSTEMATIC NAME: 1-phenoxy-3-[(E)-2-(3-phenoxyphenyl)ethenyl]benzene
MOLECULAR FORMULA: C26H20O2
MOLECULAR WEIGHT: 364.4358
SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)/C=C/C3=CC(=CC=C3)OC4=CC=CC=C4
Structure:
CAS RN: 110457-94-8
CAS Name: (2Z)-2-chloro-1,1,1-trifluoro-6-methyl-4-hepta-2,5-dienone
OPENEYE Name: (2Z)-2-chloro-1,1,1-trifluoro-6-methyl-hepta-2,5-dien-4-one
IUPAC Name: (2Z)-2-chloro-1,1,1-trifluoro-6-methylhepta-2,5-dien-4-one
SYSTEMATIC NAME: (2Z)-2-chloranyl-1,1,1-tris(fluoranyl)-6-methyl-hepta-2,5-dien-4-one
MOLECULAR FORMULA: C8H8ClF3O
MOLECULAR WEIGHT: 212.59673
SMILES: CC(=CC(=O)/C=C(/C(F)(F)F)\Cl)C
Structure:
CAS RN: 110457-93-7
CAS Name: (2Z)-2-chloro-1,1,1-trifluoro-6-methylhepta-2,5-diene
OPENEYE Name: (2Z)-2-chloro-1,1,1-trifluoro-6-methyl-hepta-2,5-diene
IUPAC Name: (2Z)-2-chloro-1,1,1-trifluoro-6-methylhepta-2,5-diene
SYSTEMATIC NAME: (2Z)-2-chloranyl-1,1,1-tris(fluoranyl)-6-methyl-hepta-2,5-diene
MOLECULAR FORMULA: C8H10ClF3
MOLECULAR WEIGHT: 198.61321
SMILES: CC(=CC/C=C(/C(F)(F)F)\Cl)C
Structure:
CAS RN: 110457-91-5
CAS Name: 2-[3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-(3-phenoxyphenyl)acetonitrile
OPENEYE Name: 2-[3-[(Z)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropyl]-2-(3-phenoxyphenyl)acetonitrile
IUPAC Name: 2-[3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-(3-phenoxyphenyl)acetonitrile
SYSTEMATIC NAME: 2-[3-[(Z)-2-chloranyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropyl]-2-(3-phenoxyphenyl)ethanenitrile
MOLECULAR FORMULA: C22H19ClF3NO
MOLECULAR WEIGHT: 405.84057
SMILES: CC1(C(C1C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C(/C(F)(F)F)\Cl)C
Structure:
CAS RN: 110344-60-0
CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid [(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-3-oxanyl] ester
OPENEYE Name: [(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]tetrahydropyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
IUPAC Name: [(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4,5-bis(oxidanyl)oxan-3-yl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate
MOLECULAR FORMULA: C23H26O10
MOLECULAR WEIGHT: 462.44654
SMILES: C1=CC(=CC=C1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O)O
Structure:
CAS RN: 110344-59-7
CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-3-oxanyl] ester
OPENEYE Name: [(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]tetrahydropyran-3-yl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
IUPAC Name: [(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4,5-bis(oxidanyl)oxan-3-yl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C24H28O10
MOLECULAR WEIGHT: 476.47312
SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OCCC3=CC=C(C=C3)O)CO)O
Structure:
CAS RN: 110327-00-9
CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid [(2R,3R,4S,5R,6R)-6-ethoxy-5-hydroxy-2-(hydroxymethyl)-5-(4-hydroxyphenyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3-oxanyl] ester
OPENEYE Name: [(2R,3R,4S,5R,6R)-6-ethoxy-5-hydroxy-2-(hydroxymethyl)-5-(4-hydroxyphenyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
IUPAC Name: [(2R,3R,4S,5R,6R)-6-ethoxy-5-hydroxy-2-(hydroxymethyl)-5-(4-hydroxyphenyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-6-ethoxy-2-(hydroxymethyl)-5-(4-hydroxyphenyl)-4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-3-yl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate
MOLECULAR FORMULA: C29H36O14
MOLECULAR WEIGHT: 608.58774
SMILES: CCO[C@H]1[C@]([C@H]([C@@H]([C@H](O1)CO)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O)(C4=CC=C(C=C4)O)O
Structure:
CAS RN: 110326-99-3
CAS Name: (E)-3-(4-hydroxyphenyl)-2-propenoic acid [(2R,3R,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-6-ethoxy-5-hydroxy-2-(hydroxymethyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3-oxanyl] ester
OPENEYE Name: [(2R,3R,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-6-ethoxy-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
IUPAC Name: [(2R,3R,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-6-ethoxy-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-5-[3,4-bis(oxidanyl)phenyl]-6-ethoxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C29H36O14
MOLECULAR WEIGHT: 608.58774
SMILES: CCO[C@H]1[C@]([C@H]([C@@H]([C@H](O1)CO)OC(=O)/C=C/C2=CC=C(C=C2)O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O)(C4=CC(=C(C=C4)O)O)O
Structure:
CAS RN: 110261-31-9
CAS Name: 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-2-pyrrolidinone
OPENEYE Name: 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]pyrrolidin-2-one
IUPAC Name: 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]pyrrolidin-2-one
SYSTEMATIC NAME: 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]pyrrolidin-2-one
MOLECULAR FORMULA: C19H31NO
MOLECULAR WEIGHT: 289.45554
SMILES: CC(=CCC/C(=C/CC/C(=C/CN1CCCC1=O)/C)/C)C
Structure:
CAS RN: 110261-30-8
CAS Name: 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-2-azepanone
OPENEYE Name: 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]azepan-2-one
IUPAC Name: 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]azepan-2-one
SYSTEMATIC NAME: 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]azepan-2-one
MOLECULAR FORMULA: C21H35NO
MOLECULAR WEIGHT: 317.5087
SMILES: CC(=CCC/C(=C/CC/C(=C/CN1CCCCCC1=O)/C)/C)C
Structure:
CAS RN: 117694-77-6
CAS Name: 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-2-azepanone
OPENEYE Name: 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]azepan-2-one
IUPAC Name: 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]azepan-2-one
SYSTEMATIC NAME: 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]azepan-2-one
MOLECULAR FORMULA: C21H35NO
MOLECULAR WEIGHT: 317.5087
SMILES: CC(=CCC/C(=C/CC/C(=C/CN1CCCCCC1=O)/C)/C)C
Structure:
CAS RN: 110202-75-0
CAS Name: (2S)-2-[(1R,3Z,7Z,11Z)-4,8,12-trimethyl-1-cyclotetradeca-3,7,11-trienyl]propane-1,2-diol
OPENEYE Name: (2S)-2-[(1R,3Z,7Z,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propane-1,2-diol
IUPAC Name: (2S)-2-[(1R,3Z,7Z,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propane-1,2-diol
SYSTEMATIC NAME: (2S)-2-[(1R,3Z,7Z,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propane-1,2-diol
MOLECULAR FORMULA: C20H34O2
MOLECULAR WEIGHT: 306.48276
SMILES: C/C/1=C/CC/C(=C\C[C@@H](CC/C(=C\CC1)/C)[C@@](C)(CO)O)/C
Structure:
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