CAS RN: 178943-64-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H28N2O7S2
MOLECULAR WEIGHT: 496.59692
SMILES: C[C@@H]1C2=NC(=CS2)/C=C\C=C\C(=O)[C@@H]([C@H]3[C@](CC[C@@](S3)(CC(=O)N1)[C@](C)(C(=O)O)O)(C)O)O
Structure:
CAS RN: 110326-33-5
CAS Name: ethane-1,2-diamine; (E)-3-(3,4,5-trimethoxyphenyl)-2-propenoic acid
OPENEYE Name: ethane-1,2-diamine; (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
IUPAC Name: ethane-1,2-diamine; (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: ethane-1,2-diamine; (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C26H36N2O10
MOLECULAR WEIGHT: 536.57144
SMILES: COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)O.COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)O.C(N)CN
Structure:
CAS RN: 108670-79-7
CAS Name: (2E,4E,6E,8E)-undeca-2,4,6,8-tetraenal
OPENEYE Name: (2E,4E,6E,8E)-undeca-2,4,6,8-tetraenal
IUPAC Name: (2E,4E,6E,8E)-undeca-2,4,6,8-tetraenal
SYSTEMATIC NAME: (2E,4E,6E,8E)-undeca-2,4,6,8-tetraenal
MOLECULAR FORMULA: C11H14O
MOLECULAR WEIGHT: 162.22826
SMILES: CC/C=C/C=C/C=C/C=C/C=O
Structure:
CAS RN: 108670-78-6
CAS Name: 3-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenoxy]propane-1,2-diol
OPENEYE Name: 3-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenoxy]propane-1,2-diol
IUPAC Name: 3-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenoxy]propane-1,2-diol
SYSTEMATIC NAME: 3-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenoxy]propane-1,2-diol
MOLECULAR FORMULA: C13H20O3
MOLECULAR WEIGHT: 224.2961
SMILES: CC/C=C/C=C/C=C/C=C/OCC(CO)O
Structure:
CAS RN: 108618-29-7
CAS Name: 4-[(E)-2-(4-aminophenyl)ethenyl]benzonitrile
OPENEYE Name: 4-[(E)-2-(4-aminophenyl)vinyl]benzonitrile
IUPAC Name: 4-[(E)-2-(4-aminophenyl)ethenyl]benzonitrile
SYSTEMATIC NAME: 4-[(E)-2-(4-aminophenyl)ethenyl]benzenecarbonitrile
MOLECULAR FORMULA: C15H12N2
MOLECULAR WEIGHT: 220.26918
SMILES: C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)N)C#N
Structure:
CAS RN: 108618-28-6
CAS Name: 3-[(E)-2-(4-aminophenyl)ethenyl]benzonitrile
OPENEYE Name: 3-[(E)-2-(4-aminophenyl)vinyl]benzonitrile
IUPAC Name: 3-[(E)-2-(4-aminophenyl)ethenyl]benzonitrile
SYSTEMATIC NAME: 3-[(E)-2-(4-aminophenyl)ethenyl]benzenecarbonitrile
MOLECULAR FORMULA: C15H12N2
MOLECULAR WEIGHT: 220.26918
SMILES: C1=CC(=CC(=C1)/C=C/C2=CC=C(C=C2)N)C#N
Structure:
CAS RN: 107817-59-4
CAS Name: (2R)-2-amino-3-[[(E)-3-chloroprop-1-enyl]thio]propanoic acid
OPENEYE Name: (2R)-2-amino-3-[(E)-3-chloroprop-1-enyl]sulfanyl-propanoic acid
IUPAC Name: (2R)-2-amino-3-[(E)-3-chloroprop-1-enyl]sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-[(E)-3-chloranylprop-1-enyl]sulfanyl-propanoic acid
MOLECULAR FORMULA: C6H10ClNO2S
MOLECULAR WEIGHT: 195.6671
SMILES: C(/C=C/SC[C@@H](C(=O)O)N)Cl
Structure:
CAS RN: 107550-83-4
CAS Name: (2E,4E)-hexa-2,4-diene-1,6-diol
OPENEYE Name: (2E,4E)-hexa-2,4-diene-1,6-diol
IUPAC Name: (2E,4E)-hexa-2,4-diene-1,6-diol
SYSTEMATIC NAME: (2E,4E)-hexa-2,4-diene-1,6-diol
MOLECULAR FORMULA: C6H10O2
MOLECULAR WEIGHT: 114.1424
SMILES: C(O)/C=C/C=C/CO
Structure:
CAS RN: 161928-84-3
CAS Name: (Z)-2-[[(E)-2-methyl-1-oxobut-2-enoxy]methyl]-2-butenoic acid [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] ester
OPENEYE Name: [(E)-3-(3,4-dimethoxyphenyl)allyl] (Z)-2-[[(E)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate
IUPAC Name: [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] (Z)-2-[[(E)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate
SYSTEMATIC NAME: [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] (Z)-2-[[(E)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate
MOLECULAR FORMULA: C21H26O6
MOLECULAR WEIGHT: 374.42754
SMILES: C/C=C(\C)/C(=O)OC/C(=C/C)/C(=O)OC/C=C/C1=CC(=C(C=C1)OC)OC
Structure:
CAS RN: 148073-35-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H24O6
MOLECULAR WEIGHT: 348.39026
SMILES: CC(=C)C(=O)O[C@H]1C/C(=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H]1C(=C)C(=O)O3)C)/CO
Structure:
CAS RN: 138521-96-7
CAS Name: (2Z)-2-[(3S,4R,5S,6R,10S)-4,10-dihydroxy-3-[(2E,4E)-1-hydroxy-10-methyl-6-methyleneundeca-2,4,9-trien-2-yl]-6-(3-hydroxypropyl)-10-methyl-7-spiro[4.5]decanylidene]propanal
OPENEYE Name: (2Z)-2-[(3S,4R,5S,6R,10S)-4,10-dihydroxy-3-[(1E,3E)-1-(hydroxymethyl)-9-methyl-5-methylene-deca-1,3,8-trienyl]-6-(3-hydroxypropyl)-10-methyl-spiro[4.5]decan-7-ylidene]propanal
IUPAC Name: (2Z)-2-[(3S,4R,5S,6R,10S)-4,10-dihydroxy-3-[(2E,4E)-1-hydroxy-10-methyl-6-methylideneundeca-2,4,9-trien-2-yl]-6-(3-hydroxypropyl)-10-methylspiro[4.5]decan-7-ylidene]propanal
SYSTEMATIC NAME: (2Z)-2-[(3S,4R,5S,6R,10S)-10-methyl-3-[(2E,4E)-10-methyl-6-methylidene-1-oxidanyl-undeca-2,4,9-trien-2-yl]-4,10-bis(oxidanyl)-6-(3-oxidanylpropyl)spiro[4.5]decan-7-ylidene]propanal
MOLECULAR FORMULA: C30H46O5
MOLECULAR WEIGHT: 486.68324
SMILES: CC(=CCCC(=C)/C=C/C=C(/CO)\[C@@H]1CC[C@@]2([C@@H]1O)[C@@H](/C(=C(/C)\C=O)/CC[C@]2(C)O)CCCO)C
Structure:
CAS RN: 13018-46-7
CAS Name: (6E,8E,10E,12E,14E,16E,18Z,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
OPENEYE Name: (6E,8E,10E,12E,14E,16E,18Z,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
IUPAC Name: (6E,8E,10E,12E,14E,16E,18Z,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
SYSTEMATIC NAME: (6E,8E,10E,12E,14E,16E,18Z,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
MOLECULAR FORMULA: C40H56
MOLECULAR WEIGHT: 536.87264
SMILES: CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCC=C(C)C)/C)/C)/C)C
Structure:
CAS RN: 104358-48-7
CAS Name: 4-[(E)-3-hydroxyprop-1-enyl]-2-(3-methylbut-2-enyl)phenol
OPENEYE Name: 4-[(E)-3-hydroxyprop-1-enyl]-2-(3-methylbut-2-enyl)phenol
IUPAC Name: 4-[(E)-3-hydroxyprop-1-enyl]-2-(3-methylbut-2-enyl)phenol
SYSTEMATIC NAME: 2-(3-methylbut-2-enyl)-4-[(E)-3-oxidanylprop-1-enyl]phenol
MOLECULAR FORMULA: C14H18O2
MOLECULAR WEIGHT: 218.29152
SMILES: CC(=CCC1=C(C=CC(=C1)/C=C/CO)O)C
Structure:
CAS RN: 100802-91-3
CAS Name: (Z)-3-phenyl-2-propenoic acid [17-acetyl-8,14,17-trihydroxy-3-[[5-[[5-[[5-[(5-hydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-10,13-dimethyl-1,2,3,4,7,9,11,12,15,1
OPENEYE Name: [17-acetyl-8,14,17-trihydroxy-3-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,
IUPAC Name: [17-acetyl-8,14,17-trihydroxy-3-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12
SYSTEMATIC NAME: [17-ethanoyl-3-[4-methoxy-5-[4-methoxy-5-[4-methoxy-5-(4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl)oxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-8,14,17-tris(oxidanyl)-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phe
MOLECULAR FORMULA: C58H86O19
MOLECULAR WEIGHT: 1087.29204
SMILES: CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC5CCC6(C7CC(C8(C(CCC8(C7(CC=C6C5)O)O)(C(=O)C)O)C)OC(=O)/C=C\C9=CC=CC=C9)C)C)C)C)OC)O
Structure:
CAS RN: 100237-71-6
CAS Name: [4-[(2E,4Z)-5-[4-(dimethylamino)phenyl]-1,5-diphenylpenta-2,4-dienylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium; trifluoromethanesulfonate
OPENEYE Name: [4-[(2E,4Z)-5-[4-(dimethylamino)phenyl]-1,5-diphenyl-penta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium; trifluoromethanesulfonate
IUPAC Name: [4-[(2E,4Z)-5-[4-(dimethylamino)phenyl]-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium; trifluoromethanesulfonate
SYSTEMATIC NAME: [4-[(2E,4Z)-5-[4-(dimethylamino)phenyl]-1,5-diphenyl-penta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium; tris(fluoranyl)methanesulfonate
MOLECULAR FORMULA: C34H33F3N2O3S
MOLECULAR WEIGHT: 606.69763
SMILES: CN(C)C1=CC=C(C=C1)/C(=C\C=C\C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3)/C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]
Structure:
CAS RN: 76215-41-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H36O11
MOLECULAR WEIGHT: 548.57884
SMILES: CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45C2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)O)(OC5)C(=O)OC)O)O)C)OC(=O)/C=C(\C)/C(C)C
Structure:
CAS RN: 76215-40-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H46O12
MOLECULAR WEIGHT: 658.73254
SMILES: CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3C45[C@@H]2[C@H]([C@@H]([C@@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)C)(OC5)C(=O)OC)O)O)C)OC(=O)/C=C(\C)/C(C)C
Structure:
CAS RN: 75898-98-5
CAS Name: (2R)-2-acetamido-3-[[(E)-2-bromo-1-fluoroethenyl]thio]propanoic acid
OPENEYE Name: (2R)-2-acetamido-3-[(E)-2-bromo-1-fluoro-vinyl]sulfanyl-propanoic acid
IUPAC Name: (2R)-2-acetamido-3-[(E)-2-bromo-1-fluoroethenyl]sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-acetamido-3-[(E)-2-bromanyl-1-fluoranyl-ethenyl]sulfanyl-propanoic acid
MOLECULAR FORMULA: C7H9BrFNO3S
MOLECULAR WEIGHT: 286.118663
SMILES: CC(=O)N[C@@H](CS/C(=C/Br)/F)C(=O)O
Structure:
CAS RN: 75898-97-4
CAS Name: (2R)-2-acetamido-3-[[(E)-2-chloro-1-fluoroethenyl]thio]propanoic acid
OPENEYE Name: (2R)-2-acetamido-3-[(E)-2-chloro-1-fluoro-vinyl]sulfanyl-propanoic acid
IUPAC Name: (2R)-2-acetamido-3-[(E)-2-chloro-1-fluoroethenyl]sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-acetamido-3-[(E)-2-chloranyl-1-fluoranyl-ethenyl]sulfanyl-propanoic acid
MOLECULAR FORMULA: C7H9ClFNO3S
MOLECULAR WEIGHT: 241.667663
SMILES: CC(=O)N[C@@H](CS/C(=C/Cl)/F)C(=O)O
Structure:
CAS RN: 75056-11-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H23NO7
MOLECULAR WEIGHT: 365.37772
SMILES: C/C=C\1/CC(=C)[C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(CO)O
Structure:
CAS RN: 74923-21-0
CAS Name: (E)-3-[(2R,3R)-3-methyl-2-oxiranyl]-2-propenoic acid
OPENEYE Name: (E)-3-[(2R,3R)-3-methyloxiran-2-yl]prop-2-enoic acid
IUPAC Name: (E)-3-[(2R,3R)-3-methyloxiran-2-yl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[(2R,3R)-3-methyloxiran-2-yl]prop-2-enoic acid
MOLECULAR FORMULA: C6H8O3
MOLECULAR WEIGHT: 128.12592
SMILES: C[C@@H]1[C@H](O1)/C=C/C(=O)O
Structure:
CAS RN: 76554-27-3
CAS Name: (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[4-(methylthio)phenyl]-2-propen-1-one
OPENEYE Name: (E)-1-(2-hydroxy-4,6-dimethoxy-phenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one
IUPAC Name: (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-(2,4-dimethoxy-6-oxidanyl-phenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C18H18O4S
MOLECULAR WEIGHT: 330.39812
SMILES: COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC=C(C=C2)SC)O
Structure:
CAS RN: 76554-26-2
CAS Name: (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(3-pyridinyl)-2-propen-1-one
OPENEYE Name: (E)-1-(2-hydroxy-4,6-dimethoxy-phenyl)-3-(3-pyridyl)prop-2-en-1-one
IUPAC Name: (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
SYSTEMATIC NAME: (E)-1-(2,4-dimethoxy-6-oxidanyl-phenyl)-3-pyridin-3-yl-prop-2-en-1-one
MOLECULAR FORMULA: C16H15NO4
MOLECULAR WEIGHT: 285.2946
SMILES: COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CN=CC=C2)O
Structure:
CAS RN: 73440-00-3
CAS Name: 1,3-benzothiazole; (1Z,5Z)-cycloocta-1,5-diene; rhodium; chloride
OPENEYE Name: 1,3-benzothiazole; (1Z,5Z)-cycloocta-1,5-diene; rhodium; chloride
IUPAC Name: 1,3-benzothiazole; (1Z,5Z)-cycloocta-1,5-diene; rhodium; chloride
SYSTEMATIC NAME: 1,3-benzothiazole; (1Z,5Z)-cycloocta-1,5-diene; rhodium; chloride
MOLECULAR FORMULA: C15H17ClNRhS-
MOLECULAR WEIGHT: 381.72568
SMILES: C1/C=C\CC/C=C\C1.C1=CC=C2SC=NC2=C1.[Cl-].[Rh]
Structure:
CAS RN: 73033-36-0
CAS Name: 2-[[(2Z,4Z,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]amino]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[[(2Z,4Z,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]amino]acetate
IUPAC Name: ethyl 2-[[(2Z,4Z,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]amino]acetate
SYSTEMATIC NAME: ethyl 2-[[(2Z,4Z,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]amino]ethanoate
MOLECULAR FORMULA: C24H37NO2
MOLECULAR WEIGHT: 371.55608
SMILES: CCOC(=O)CNC/C=C(/C)\C=C/C=C(/C)\C=C/C1=C(CCCC1(C)C)C
Structure:
CAS RN: 72521-70-1
CAS Name: (E)-3-[(6R,6aS)-5-acetyl-4,6-dihydroxy-3-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-2-propenamide
OPENEYE Name: (E)-3-[(6R,6aS)-5-acetyl-4,6-dihydroxy-3-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]prop-2-enamide
IUPAC Name: (E)-3-[(6R,6aS)-5-acetyl-4,6-dihydroxy-3-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-[(6R,6aS)-5-ethanoyl-3-methyl-4,6-bis(oxidanyl)-11-oxidanylidene-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]prop-2-enamide
MOLECULAR FORMULA: C18H19N3O5
MOLECULAR WEIGHT: 357.36056
SMILES: CC1=C(C2=C(C=C1)C(=O)N3C=C(C[C@H]3[C@H](N2C(=O)C)O)/C=C/C(=O)N)O
Structure:
CAS RN: 72506-76-4
CAS Name: (E)-3-[(6R,6aS)-4-hydroxy-6-methoxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-2-propenenitrile
OPENEYE Name: (E)-3-[(6R,6aS)-4-hydroxy-6-methoxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]prop-2-enenitrile
IUPAC Name: (E)-3-[(6R,6aS)-4-hydroxy-6-methoxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]prop-2-enenitrile
SYSTEMATIC NAME: (E)-3-[(6R,6aS)-6-methoxy-3-methyl-4-oxidanyl-11-oxidanylidene-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]prop-2-enenitrile
MOLECULAR FORMULA: C17H17N3O3
MOLECULAR WEIGHT: 311.33518
SMILES: CC1=C(C2=C(C=C1)C(=O)N3C=C(C[C@H]3[C@H](N2)OC)/C=C/C#N)O
Structure:
CAS RN: 71673-83-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H31NO8
MOLECULAR WEIGHT: 449.49414
SMILES: C/C=C/1\CC(C(C(=O)OCC2=C3C(CC[N+]3(C=C2)C)OC1=O)(C)OC(=O)C)C.CC(=O)[O-]
Structure:
CAS RN: 74042-95-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H15FN4O5S
MOLECULAR WEIGHT: 454.431003
SMILES: CN\1C2=C(C=CC(=C2)C#N)O/C1=C/C=C/C3=[N+](C4=C(O3)C=CC(=C4)C#N)C.[O-]S(=O)(=O)F
Structure:
CAS RN: 73475-11-3
CAS Name: sodium 2-[(Z)-[butan-2-yl(oxido)iminio]methyl]benzenesulfonate
OPENEYE Name: sodium 2-[(Z)-[oxido(sec-butyl)iminio]methyl]benzenesulfonate
IUPAC Name: sodium 2-[(Z)-[butan-2-yl(oxido)azaniumylidene]methyl]benzenesulfonate
SYSTEMATIC NAME: sodium 2-[(Z)-[butan-2-yl(oxidanidyl)azaniumylidene]methyl]benzenesulfonate
MOLECULAR FORMULA: C11H14NNaO4S
MOLECULAR WEIGHT: 279.28793
SMILES: CCC(C)/[N+](=C/C1=CC=CC=C1S(=O)(=O)[O-])/[O-].[Na+]
Structure:
CAS RN: 73033-35-9
CAS Name: (2E,4Z,6Z,8Z)-2-fluoro-9-(4-methoxy-2,5-dimethyl-1-cyclohexa-1,3-dienyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid ethyl ester
OPENEYE Name: ethyl (2E,4Z,6Z,8Z)-2-fluoro-9-(4-methoxy-2,5-dimethyl-cyclohexa-1,3-dien-1-yl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate
IUPAC Name: ethyl (2E,4Z,6Z,8Z)-2-fluoro-9-(4-methoxy-2,5-dimethylcyclohexa-1,3-dien-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoate
SYSTEMATIC NAME: ethyl (2E,4Z,6Z,8Z)-2-fluoranyl-9-(4-methoxy-2,5-dimethyl-cyclohexa-1,3-dien-1-yl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate
MOLECULAR FORMULA: C22H29FO3
MOLECULAR WEIGHT: 360.462263
SMILES: CCOC(=O)/C(=C(/C)\C=C/C=C(/C)\C=C/C1=C(C=C(C(C1)C)OC)C)/F
Structure:
CAS RN: 72877-60-2
CAS Name: N-tert-butyl-1-(3-pyridinyl)methanimine oxide
OPENEYE Name: N-tert-butyl-1-(3-pyridyl)methanimine oxide
IUPAC Name: N-tert-butyl-1-pyridin-3-ylmethanimine oxide
SYSTEMATIC NAME: N-tert-butyl-1-pyridin-3-yl-methanimine oxide
MOLECULAR FORMULA: C10H14N2O
MOLECULAR WEIGHT: 178.23096
SMILES: CC(C)(C)/[N+](=C/C1=CN=CC=C1)/[O-]
Structure:
CAS RN: 72877-59-9
CAS Name: N-tert-butyl-1-(2-pyridinyl)methanimine oxide
OPENEYE Name: N-tert-butyl-1-(2-pyridyl)methanimine oxide
IUPAC Name: N-tert-butyl-1-pyridin-2-ylmethanimine oxide
SYSTEMATIC NAME: N-tert-butyl-1-pyridin-2-yl-methanimine oxide
MOLECULAR FORMULA: C10H14N2O
MOLECULAR WEIGHT: 178.23096
SMILES: CC(C)(C)/[N+](=C/C1=CC=CC=N1)/[O-]
Structure:
CAS RN: 62416-32-4
CAS Name: (1E,5E)-1-bromo-7-(bromomethyl)-3,4,7,8-tetrachloro-3-methylocta-1,5-diene
OPENEYE Name: (1E,5E)-1-bromo-7-(bromomethyl)-3,4,7,8-tetrachloro-3-methyl-octa-1,5-diene
IUPAC Name: (1E,5E)-1-bromo-7-(bromomethyl)-3,4,7,8-tetrachloro-3-methylocta-1,5-diene
SYSTEMATIC NAME: (1E,5E)-1-bromanyl-7-(bromomethyl)-3,4,7,8-tetrakis(chloranyl)-3-methyl-octa-1,5-diene
MOLECULAR FORMULA: C10H12Br2Cl4
MOLECULAR WEIGHT: 433.82228
SMILES: CC(/C=C/Br)(C(/C=C/C(CCl)(CBr)Cl)Cl)Cl
Structure:
CAS RN: 72776-93-3
CAS Name: (1E,5E)-1-bromo-7-(bromomethyl)-3,4,7,8-tetrachloro-3-methylocta-1,5-diene
OPENEYE Name: (1E,5E)-1-bromo-7-(bromomethyl)-3,4,7,8-tetrachloro-3-methyl-octa-1,5-diene
IUPAC Name: (1E,5E)-1-bromo-7-(bromomethyl)-3,4,7,8-tetrachloro-3-methylocta-1,5-diene
SYSTEMATIC NAME: (1E,5E)-1-bromanyl-7-(bromomethyl)-3,4,7,8-tetrakis(chloranyl)-3-methyl-octa-1,5-diene
MOLECULAR FORMULA: C10H12Br2Cl4
MOLECULAR WEIGHT: 433.82228
SMILES: CC(/C=C/Br)(C(/C=C/C(CCl)(CBr)Cl)Cl)Cl
Structure:
CAS RN: 72748-89-1
CAS Name: (1E,3R,4S,5E,7S)-1,8-dibromo-3,4,7-trichloro-3,7-dimethylocta-1,5-diene
OPENEYE Name: (1E,3R,4S,5E,7S)-1,8-dibromo-3,4,7-trichloro-3,7-dimethyl-octa-1,5-diene
IUPAC Name: (1E,3R,4S,5E,7S)-1,8-dibromo-3,4,7-trichloro-3,7-dimethylocta-1,5-diene
SYSTEMATIC NAME: (1E,3R,4S,5E,7S)-1,8-bis(bromanyl)-3,4,7-tris(chloranyl)-3,7-dimethyl-octa-1,5-diene
MOLECULAR FORMULA: C10H13Br2Cl3
MOLECULAR WEIGHT: 399.37722
SMILES: C[C@@](CBr)(/C=C/[C@@H]([C@@](C)(/C=C/Br)Cl)Cl)Cl
Structure:
CAS RN: 71113-05-8
CAS Name: acetic acid [(2E,4E)-3,4-bis(4-acetyloxyphenyl)hexa-2,4-dienyl] ester
OPENEYE Name: [(2E,4E)-3,4-bis(4-acetoxyphenyl)hexa-2,4-dienyl] acetate
IUPAC Name: [(2E,4E)-3,4-bis(4-acetyloxyphenyl)hexa-2,4-dienyl] acetate
SYSTEMATIC NAME: [(2E,4E)-3,4-bis(4-acetyloxyphenyl)hexa-2,4-dienyl] ethanoate
MOLECULAR FORMULA: C24H24O6
MOLECULAR WEIGHT: 408.44376
SMILES: C/C=C(\C1=CC=C(C=C1)OC(=O)C)/C(=C/COC(=O)C)/C2=CC=C(C=C2)OC(=O)C
Structure:
CAS RN: 70101-28-9
CAS Name: 4-[(2Z,4Z)-6-hydroxy-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol
OPENEYE Name: 4-[(Z,1Z)-1-ethylidene-4-hydroxy-2-(4-hydroxyphenyl)but-2-enyl]phenol
IUPAC Name: 4-[(2Z,4Z)-6-hydroxy-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol
SYSTEMATIC NAME: 4-[(2Z,4Z)-4-(4-hydroxyphenyl)-6-oxidanyl-hexa-2,4-dien-3-yl]phenol
MOLECULAR FORMULA: C18H18O3
MOLECULAR WEIGHT: 282.33372
SMILES: C/C=C(/C1=CC=C(C=C1)O)\C(=C/CO)\C2=CC=C(C=C2)O
Structure:
CAS RN: 69245-04-1
CAS Name: 2,4-dichloro-1-[(E)-2-chloro-1-[methoxy-(methylthio)phosphoryl]oxyethenyl]benzene
OPENEYE Name: 2,4-dichloro-1-[(E)-2-chloro-1-[methoxy(methylsulfanyl)phosphoryl]oxy-vinyl]benzene
IUPAC Name: 2,4-dichloro-1-[(E)-2-chloro-1-[methoxy(methylsulfanyl)phosphoryl]oxyethenyl]benzene
SYSTEMATIC NAME: 2,4-bis(chloranyl)-1-[(E)-2-chloranyl-1-[methoxy(methylsulfanyl)phosphoryl]oxy-ethenyl]benzene
MOLECULAR FORMULA: C10H10Cl3O3PS
MOLECULAR WEIGHT: 347.582361
SMILES: COP(=O)(O/C(=C/Cl)/C1=C(C=C(C=C1)Cl)Cl)SC
Structure:
CAS RN: 61258-11-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H60N4O12
MOLECULAR WEIGHT: 824.9561
SMILES: C[C@H]1CC/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C\NN5CCN(CC5)C)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C
Structure:
CAS RN: 71397-49-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H60N4O12
MOLECULAR WEIGHT: 824.9561
SMILES: C[C@H]1CC/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C\NN5CCN(CC5)C)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C
Structure:
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