CAS RN: 117710-98-2
CAS Name: (Z)-1,1,1-trifluoro-4-methyl-3-decen-2-one
OPENEYE Name: (Z)-1,1,1-trifluoro-4-methyl-dec-3-en-2-one
IUPAC Name: (Z)-1,1,1-trifluoro-4-methyldec-3-en-2-one
SYSTEMATIC NAME: (Z)-1,1,1-tris(fluoranyl)-4-methyl-dec-3-en-2-one
MOLECULAR FORMULA: C11H17F3O
MOLECULAR WEIGHT: 222.24729
SMILES: CCCCCC/C(=C\C(=O)C(F)(F)F)/C
Structure:
CAS RN: 117710-92-6
CAS Name: (Z)-1,1,1-trifluoro-4-methyl-3-tetradecen-2-one
OPENEYE Name: (Z)-1,1,1-trifluoro-4-methyl-tetradec-3-en-2-one
IUPAC Name: (Z)-1,1,1-trifluoro-4-methyltetradec-3-en-2-one
SYSTEMATIC NAME: (Z)-1,1,1-tris(fluoranyl)-4-methyl-tetradec-3-en-2-one
MOLECULAR FORMULA: C15H25F3O
MOLECULAR WEIGHT: 278.35361
SMILES: CCCCCCCCCC/C(=C\C(=O)C(F)(F)F)/C
Structure:
CAS RN: 117710-85-7
CAS Name: (E)-1,1,1-trifluoro-4-methyl-3-dodecen-2-one
OPENEYE Name: (E)-1,1,1-trifluoro-4-methyl-dodec-3-en-2-one
IUPAC Name: (E)-1,1,1-trifluoro-4-methyldodec-3-en-2-one
SYSTEMATIC NAME: (E)-1,1,1-tris(fluoranyl)-4-methyl-dodec-3-en-2-one
MOLECULAR FORMULA: C13H21F3O
MOLECULAR WEIGHT: 250.30045
SMILES: CCCCCCCC/C(=C/C(=O)C(F)(F)F)/C
Structure:
CAS RN: 117710-84-6
CAS Name: (E)-1,1,1-trifluoro-4-methyl-3-decen-2-one
OPENEYE Name: (E)-1,1,1-trifluoro-4-methyl-dec-3-en-2-one
IUPAC Name: (E)-1,1,1-trifluoro-4-methyldec-3-en-2-one
SYSTEMATIC NAME: (E)-1,1,1-tris(fluoranyl)-4-methyl-dec-3-en-2-one
MOLECULAR FORMULA: C11H17F3O
MOLECULAR WEIGHT: 222.24729
SMILES: CCCCCC/C(=C/C(=O)C(F)(F)F)/C
Structure:
CAS RN: 117631-50-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H44N4O2
MOLECULAR WEIGHT: 564.76016
SMILES: C1CCN2CCC3C=C(C(CC/C=C\C1)(C4C3(C2)CC5N4CCCC(=O)CC5)O)C6=NC=CC7=C6NC8=CC=CC=C78
Structure:
CAS RN: 117582-92-0
CAS Name: (2S)-N-[(2E,4E)-5-[(2S,3S,4E,6E,8S,11Z,13E,16S,17Z,19Z,21R,22Z)-8,16-dimethoxy-3,12,18,21,23-pentamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]-2-formamido-3-hydroxypropanamide
OPENEYE Name: (2S)-N-[(2E,4E)-5-[(2S,3S,4E,6E,8S,11Z,13E,16S,17Z,19Z,21R,22Z)-8,16-dimethoxy-3,12,18,21,23-pentamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methyl-hexa-2,4-dienyl]-2-formamido-3-hydroxy-propanamide
IUPAC Name: (2S)-N-[(2E,4E)-5-[(2S,3S,4E,6E,8S,11Z,13E,16S,17Z,19Z,21R,22Z)-8,16-dimethoxy-3,12,18,21,23-pentamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]-2-formamido-3-hydroxypropanamide
SYSTEMATIC NAME: (2S)-N-[(2E,4E)-5-[(2S,3S,4E,6E,8S,11Z,13E,16S,17Z,19Z,21R,22Z)-8,16-dimethoxy-3,12,18,21,23-pentamethyl-24-oxidanylidene-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methyl-hexa-2,4-dienyl]-2-formamido-3-oxidanyl-propanamide
MOLECULAR FORMULA: C41H60N2O7
MOLECULAR WEIGHT: 692.9243
SMILES: C[C@@H]/1/C=C\C(=C/[C@H](C/C=C/C(=C\CC[C@@H](/C=C/C=C/[C@@H]([C@H](OC(=O)/C(=C1)/C)/C(=C/C=C(\C)/CNC(=O)[C@H](CO)NC=O)/C)C)OC)/C)OC)\C
Structure:
CAS RN: 117582-91-9
CAS Name: N-[(2E,4Z)-5-[(4E,6E,11Z,13E,17Z,19Z,22Z)-8,16-dimethoxy-3,12,18,21-tetramethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]-2-formamido-3-hydroxypropanamide
OPENEYE Name: N-[(2E,4Z)-5-[(4E,6E,11Z,13E,17Z,19Z,22Z)-8,16-dimethoxy-3,12,18,21-tetramethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methyl-hexa-2,4-dienyl]-2-formamido-3-hydroxy-propanamide
IUPAC Name: N-[(2E,4Z)-5-[(4E,6E,11Z,13E,17Z,19Z,22Z)-8,16-dimethoxy-3,12,18,21-tetramethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]-2-formamido-3-hydroxypropanamide
SYSTEMATIC NAME: N-[(2E,4Z)-5-[(4E,6E,11Z,13E,17Z,19Z,22Z)-8,16-dimethoxy-3,12,18,21-tetramethyl-24-oxidanylidene-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methyl-hexa-2,4-dienyl]-2-formamido-3-oxidanyl-propanamide
MOLECULAR FORMULA: C40H58N2O7
MOLECULAR WEIGHT: 678.89772
SMILES: CC/1/C=C\C(=C/C(C/C=C/C(=C\CCC(/C=C/C=C/C(C(OC(=O)/C=C1)/C(=C\C=C(/C)\CNC(=O)C(CO)NC=O)/C)C)OC)/C)OC)\C
Structure:
CAS RN: 117569-39-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H41ClO10
MOLECULAR WEIGHT: 597.09354
SMILES: CCCC(=O)OC1/C=C/C(=C)C(C2C(C(C(=O)O2)C)(C(C3C1(C4C(O4)C(C3C)OC(=O)CCC)C)OC(=O)C)O)Cl
Structure:
CAS RN: 117527-06-7
CAS Name: 3-hydroxy-2-methylbutanoic acid [(12E,19Z,21E)-24-[(Z)-5-[2-(2,3-dimethyl-2-oxiranyl)-4-thiazolyl]-2-hydroxy-4-methylpent-3-en-2-yl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl] ester
OPENEYE Name: [(12E,19Z,21E)-24-[(Z)-4-[2-(2,3-dimethyloxiran-2-yl)thiazol-4-yl]-1-hydroxy-1,3-dimethyl-but-2-enyl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl] 3-hydroxy-2-methyl-butanoate
IUPAC Name: [(12E,19Z,21E)-24-[(Z)-5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-2-hydroxy-4-methylpent-3-en-2-yl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl] 3-hydroxy-2-methylbutanoate
SYSTEMATIC NAME: [(12E,19Z,21E)-24-[(Z)-5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-4-methyl-2-oxidanyl-pent-3-en-2-yl]-18-methoxy-3,6,9,11,15,19,23-heptamethyl-8,16,17-tris(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetracosa-12,19,21-trien-3-yl] 2-methyl-3-oxidany
MOLECULAR FORMULA: C49H77NO12S
MOLECULAR WEIGHT: 904.20018
SMILES: CC1CCC(C(=O)OC(C(/C=C/C=C(\C(C(C(C(C/C=C/C(C(=O)C(C(C1)O)C)C)C)O)O)OC)/C)C)C(C)(/C=C(/C)\CC2=CSC(=N2)C3(C(O3)C)C)O)(C)OC(=O)C(C)C(C)O
Structure:
CAS RN: 117332-63-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H34N4O5
MOLECULAR WEIGHT: 566.64686
SMILES: C[C@@H]1C(N2C13[C@@]([C@@H]([C@]4(N3C(=O)/C/5=C/C6=C(C(/C=C\N5C4=O)(C)C)NC7=CC=CC=C76)O)OC)(C8=CC=CC=C82)O)(C)C
Structure:
CAS RN: 117176-62-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H32O2
MOLECULAR WEIGHT: 328.48828
SMILES: CC(C)[C@@H]/1CC[C@](CC[C@@H]2CC3=CC=CC=C3O[C@]2(/C=C1)C)(C)O
Structure:
CAS RN: 117120-34-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C56H85NO13
MOLECULAR WEIGHT: 980.273
SMILES: CC1C/C=C(/C2C=C3CC4C2(C(=NCC4)CC/C=C(/C=C/C(CCC5C(C(CC(O5)C(/C(=C/C(C1)OC(=O)CC6CC(C(O6)C(CC(=C)CCCC7C(C(CC(C3)O7)O)O)O)O)/C)O)O)O)O)\C)C)\C
Structure:
CAS RN: 116726-05-7
CAS Name: (E)-3-[N-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)anilino]-2-propenal
OPENEYE Name: (E)-3-[N-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)anilino]prop-2-enal
IUPAC Name: (E)-3-[N-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)anilino]prop-2-enal
SYSTEMATIC NAME: (E)-3-[cyclopropylmethyl-[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]prop-2-enal
MOLECULAR FORMULA: C14H12F3N3O5
MOLECULAR WEIGHT: 359.25739
SMILES: C1CC1CN(/C=C/C=O)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
Structure:
CAS RN: 116524-58-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C60H92O29S
MOLECULAR WEIGHT: 1309.42008
SMILES: CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC67C(C(CC6(C5=CCC4C3(C)C)C)OC(=O)C)C(OC7=O)(C)/C=C/C=C(C)C)C)OS(=O)(=O)O)O)OC8C(C(C(CO8)O)O)O)O)OC9C(C(C(C(O9)CO)O)OC1C(C(C(CO1)O)OC)O)O
Structure:
CAS RN: 116406-17-8
CAS Name: acetic acid [(3Z,7E)-3-methyl-11-(6-methylhept-5-en-2-yl)-9-oxo-10-oxabicyclo[6.2.1]undeca-3,7-dien-7-yl]methyl ester
OPENEYE Name: [(3Z,7E)-11-(1,5-dimethylhex-4-enyl)-3-methyl-9-oxo-10-oxabicyclo[6.2.1]undeca-3,7-dien-7-yl]methyl acetate
IUPAC Name: [(3Z,7E)-3-methyl-11-(6-methylhept-5-en-2-yl)-9-oxo-10-oxabicyclo[6.2.1]undeca-3,7-dien-7-yl]methyl acetate
SYSTEMATIC NAME: [(3Z,7E)-3-methyl-11-(6-methylhept-5-en-2-yl)-9-oxidanylidene-10-oxabicyclo[6.2.1]undeca-3,7-dien-7-yl]methyl ethanoate
MOLECULAR FORMULA: C22H32O4
MOLECULAR WEIGHT: 360.48708
SMILES: C/C/1=C/CC/C(=C\2/C(C(C1)OC2=O)C(C)CCC=C(C)C)/COC(=O)C
Structure:
CAS RN: 116242-03-6
CAS Name: acetic acid [(7Z)-4-(1-acetyloxybuta-2,3-dienyl)-7-methyl-11-methylene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-1-yl] ester
OPENEYE Name: [(7Z)-4-(1-acetoxybuta-2,3-dienyl)-7-methyl-11-methylene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-1-yl] acetate
IUPAC Name: [(7Z)-4-(1-acetyloxybuta-2,3-dienyl)-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-1-yl] acetate
SYSTEMATIC NAME: [(7Z)-4-(1-acetyloxybuta-2,3-dienyl)-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-1-yl] ethanoate
MOLECULAR FORMULA: C22H28O5
MOLECULAR WEIGHT: 372.45472
SMILES: C/C/1=C/CCC(=C)C2C(CC1)C(=COC2OC(=O)C)C(C=C=C)OC(=O)C
Structure:
CAS RN: 116095-60-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H39NO4
MOLECULAR WEIGHT: 465.62426
SMILES: C[C@@H]1CCC[C@H](CCC(=O)C23[C@@H](/C=C/C1)[C@@H](C(=C)[C@H]([C@H]2[C@@H](NC3=O)CC4=CC=CC=C4)C)O)O
Structure:
CAS RN: 116076-62-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H36O5
MOLECULAR WEIGHT: 440.57174
SMILES: C/C=C/C(=O)[C@@H](C)C1=CC(=O)C2=C(C1=O)OC34CC[C@@H](C([C@@H]3CC[C@@H]([C@]4(C2)C)C)(C)C)O
Structure:
CAS RN: 116026-88-1
CAS Name: N-[2-[4-(1,4-dioxaspiro[4.5]decan-10-ylmethyl)phenoxy]ethoxy]-1-propanimine
OPENEYE Name: N-[2-[4-(1,4-dioxaspiro[4.5]decan-10-ylmethyl)phenoxy]ethoxy]propan-1-imine
IUPAC Name: N-[2-[4-(1,4-dioxaspiro[4.5]decan-10-ylmethyl)phenoxy]ethoxy]propan-1-imine
SYSTEMATIC NAME: N-[2-[4-(1,4-dioxaspiro[4.5]decan-10-ylmethyl)phenoxy]ethoxy]propan-1-imine
MOLECULAR FORMULA: C20H29NO4
MOLECULAR WEIGHT: 347.44856
SMILES: CC/C=N/OCCOC1=CC=C(C=C1)CC2CCCCC23OCCO3
Structure:
CAS RN: 115951-92-3
CAS Name: 2,6-dimethyl-4-[(E)-2-(2-nitrophenyl)ethenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 2,6-dimethyl-4-[(E)-2-(2-nitrophenyl)vinyl]-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: dimethyl 2,6-dimethyl-4-[(E)-2-(2-nitrophenyl)ethenyl]-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 2,6-dimethyl-4-[(E)-2-(2-nitrophenyl)ethenyl]-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C19H20N2O6
MOLECULAR WEIGHT: 372.3719
SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC)/C=C/C2=CC=CC=C2[N+](=O)[O-])C(=O)OC
Structure:
CAS RN: 115888-92-1
CAS Name: (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [3-(phenylmethyl)phenyl]methyl ester
OPENEYE Name: (3-benzylphenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: (3-benzylphenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: [3-(phenylmethyl)phenyl]methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C25H28O4
MOLECULAR WEIGHT: 392.48742
SMILES: C/C(=C\[C@@H]1[C@H](C1(C)C)C(=O)OCC2=CC=CC(=C2)CC3=CC=CC=C3)/C(=O)OC
Structure:
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