CAS RN: 75686-07-6
CAS Name: (2Z,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide
OPENEYE Name: (2Z,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
IUPAC Name: (2Z,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SYSTEMATIC NAME: (2Z,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
MOLECULAR FORMULA: C26H33NO2
MOLECULAR WEIGHT: 391.54572
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)NC2=CC=C(C=C2)O)/C)/C
Structure:
CAS RN: 75686-05-4
CAS Name: (2Z,4E,6Z,8Z)-N-(2-hydroxyethyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide
OPENEYE Name: (2Z,4E,6Z,8Z)-N-(2-hydroxyethyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
IUPAC Name: (2Z,4E,6Z,8Z)-N-(2-hydroxyethyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SYSTEMATIC NAME: (2Z,4E,6Z,8Z)-N-(2-hydroxyethyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
MOLECULAR FORMULA: C22H33NO2
MOLECULAR WEIGHT: 343.50292
SMILES: CC1=C(C(CCC1)(C)C)/C=C\C(=C/C=C/C(=C\C(=O)NCCO)/C)\C
Structure:
CAS RN: 75664-84-5
CAS Name: (2Z,4E,6Z,8Z)-N-(2-hydroxypropyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide
OPENEYE Name: (2Z,4E,6Z,8Z)-N-(2-hydroxypropyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
IUPAC Name: (2Z,4E,6Z,8Z)-N-(2-hydroxypropyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SYSTEMATIC NAME: (2Z,4E,6Z,8Z)-3,7-dimethyl-N-(2-oxidanylpropyl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
MOLECULAR FORMULA: C23H35NO2
MOLECULAR WEIGHT: 357.5295
SMILES: CC1=C(C(CCC1)(C)C)/C=C\C(=C/C=C/C(=C\C(=O)NCC(C)O)/C)\C
Structure:
CAS RN: 75664-79-8
CAS Name: (2Z,4E,6E,8E)-3,7-dimethyl-N-(2H-tetrazol-5-yl)-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide
OPENEYE Name: (2Z,4E,6E,8E)-3,7-dimethyl-N-(2H-tetrazol-5-yl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
IUPAC Name: (2Z,4E,6E,8E)-3,7-dimethyl-N-(2H-tetrazol-5-yl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SYSTEMATIC NAME: (2Z,4E,6E,8E)-3,7-dimethyl-N-(2H-1,2,3,4-tetrazol-5-yl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
MOLECULAR FORMULA: C21H29N5O
MOLECULAR WEIGHT: 367.48786
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)NC2=NNN=N2)/C)/C
Structure:
CAS RN: 75664-77-6
CAS Name: 2,2-dimethylpropanoic acid [4-[[(2Z,4E,6E,8E)-3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]amino]phenyl] ester
OPENEYE Name: [4-[[(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]phenyl] 2,2-dimethylpropanoate
IUPAC Name: [4-[[(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]phenyl] 2,2-dimethylpropanoate
SYSTEMATIC NAME: [4-[[(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]phenyl] 2,2-dimethylpropanoate
MOLECULAR FORMULA: C31H41NO3
MOLECULAR WEIGHT: 475.66214
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)NC2=CC=C(C=C2)OC(=O)C(C)(C)C)/C)/C
Structure:
CAS RN: 75664-74-3
CAS Name: (2Z,4E,6E,8E)-N-(4-hydroxybutyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide
OPENEYE Name: (2Z,4E,6E,8E)-N-(4-hydroxybutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
IUPAC Name: (2Z,4E,6E,8E)-N-(4-hydroxybutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SYSTEMATIC NAME: (2Z,4E,6E,8E)-3,7-dimethyl-N-(4-oxidanylbutyl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
MOLECULAR FORMULA: C24H37NO2
MOLECULAR WEIGHT: 371.55608
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)NCCCCO)/C)/C
Structure:
CAS RN: 84680-31-9
CAS Name: (2Z,4E,6E,8E)-N-(4-hydroxybutyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide
OPENEYE Name: (2Z,4E,6E,8E)-N-(4-hydroxybutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
IUPAC Name: (2Z,4E,6E,8E)-N-(4-hydroxybutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SYSTEMATIC NAME: (2Z,4E,6E,8E)-3,7-dimethyl-N-(4-oxidanylbutyl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
MOLECULAR FORMULA: C24H37NO2
MOLECULAR WEIGHT: 371.55608
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)NCCCCO)/C)/C
Structure:
CAS RN: 75664-72-1
CAS Name: (2Z,4E,6Z,8E)-N-(2,3-dihydroxypropyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide
OPENEYE Name: (2Z,4E,6Z,8E)-N-(2,3-dihydroxypropyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
IUPAC Name: (2Z,4E,6Z,8E)-N-(2,3-dihydroxypropyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SYSTEMATIC NAME: (2Z,4E,6Z,8E)-N-[2,3-bis(oxidanyl)propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
MOLECULAR FORMULA: C23H35NO3
MOLECULAR WEIGHT: 373.5289
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C/C(=O)NCC(CO)O)\C)/C
Structure:
CAS RN: 75664-71-0
CAS Name: (2Z,4E,6Z,8Z)-N-(3-hydroxypropyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide
OPENEYE Name: (2Z,4E,6Z,8Z)-N-(3-hydroxypropyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
IUPAC Name: (2Z,4E,6Z,8Z)-N-(3-hydroxypropyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SYSTEMATIC NAME: (2Z,4E,6Z,8Z)-3,7-dimethyl-N-(3-oxidanylpropyl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
MOLECULAR FORMULA: C23H35NO2
MOLECULAR WEIGHT: 357.5295
SMILES: CC1=C(C(CCC1)(C)C)/C=C\C(=C/C=C/C(=C\C(=O)NCCCO)/C)\C
Structure:
CAS RN: 73310-11-9
CAS Name: (2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoic acid ethyl ester
OPENEYE Name: ethyl (2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoate
IUPAC Name: ethyl (2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoate
SYSTEMATIC NAME: ethyl (2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoate
MOLECULAR FORMULA: C24H36O2
MOLECULAR WEIGHT: 356.54144
SMILES: CCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)OCC
Structure:
CAS RN: 85924-31-8
CAS Name: (5Z,8Z,11Z,14Z)-7,7-dimethyleicosa-5,8,11,14-tetraenoic acid
OPENEYE Name: (5Z,8Z,11Z,14Z)-7,7-dimethylicosa-5,8,11,14-tetraenoic acid
IUPAC Name: (5Z,8Z,11Z,14Z)-7,7-dimethylicosa-5,8,11,14-tetraenoic acid
SYSTEMATIC NAME: (5Z,8Z,11Z,14Z)-7,7-dimethylicosa-5,8,11,14-tetraenoic acid
MOLECULAR FORMULA: C22H36O2
MOLECULAR WEIGHT: 332.52004
SMILES: CCCCC/C=C\C/C=C\C/C=C\C(C)(C)/C=C\CCCC(=O)O
Structure:
CAS RN: 62480-45-9
CAS Name: (2E,4E,6E,8E,10E)-N-butyl-1-dodeca-2,4,6,8,10-pentaenimine
OPENEYE Name: (2E,4E,6E,8E,10E)-N-butyldodeca-2,4,6,8,10-pentaen-1-imine
IUPAC Name: (2E,4E,6E,8E,10E)-N-butyldodeca-2,4,6,8,10-pentaen-1-imine
SYSTEMATIC NAME: (2E,4E,6E,8E,10E)-N-butyldodeca-2,4,6,8,10-pentaen-1-imine
MOLECULAR FORMULA: C16H23N
MOLECULAR WEIGHT: 229.36052
SMILES: CCCCN=C/C=C/C=C/C=C/C=C/C=C/C
Structure:
CAS RN: 114661-56-2
CAS Name: (2Z,3E,5E,7E,9E)-2-ethylidene-11-[(1S,2S,5R)-2-hydroxy-2-(2-hydroxyethyl)-4-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-5-yl]-4,6,10-trimethyl-11-oxoundeca-3,5,7,9-tetraenoic acid
OPENEYE Name: (2Z,3E,5E,7E,9E)-2-ethylidene-11-[(1S,2S,5R)-2-hydroxy-2-(2-hydroxyethyl)-4-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-5-yl]-4,6,10-trimethyl-11-oxo-undeca-3,5,7,9-tetraenoic acid
IUPAC Name: (2Z,3E,5E,7E,9E)-2-ethylidene-11-[(1S,2S,5R)-2-hydroxy-2-(2-hydroxyethyl)-4-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-5-yl]-4,6,10-trimethyl-11-oxoundeca-3,5,7,9-tetraenoic acid
SYSTEMATIC NAME: (2Z,3E,5E,7E,9E)-2-ethylidene-11-[(1S,2S,5R)-2-(2-hydroxyethyl)-2-oxidanyl-4-oxidanylidene-6-oxa-3-azabicyclo[3.1.0]hexan-5-yl]-4,6,10-trimethyl-11-oxidanylidene-undeca-3,5,7,9-tetraenoic acid
MOLECULAR FORMULA: C22H27NO7
MOLECULAR WEIGHT: 417.45228
SMILES: C/C=C(/C=C(\C)/C=C(\C)/C=C/C=C(\C)/C(=O)[C@@]12[C@H](O1)[C@](NC2=O)(CCO)O)\C(=O)O
Structure:
CAS RN: 114560-31-5
CAS Name: acetic acid [(E)-3-[3-(acetyloxymethyl)-5-(1-aziridinyl)-1-methyl-4,7-dioxo-2-indolyl]prop-2-enyl] ester
OPENEYE Name: [(E)-3-[3-(acetoxymethyl)-5-(aziridin-1-yl)-1-methyl-4,7-dioxo-indol-2-yl]allyl] acetate
IUPAC Name: [(E)-3-[3-(acetyloxymethyl)-5-(aziridin-1-yl)-1-methyl-4,7-dioxoindol-2-yl]prop-2-enyl] acetate
SYSTEMATIC NAME: [(E)-3-[3-(acetyloxymethyl)-5-(aziridin-1-yl)-1-methyl-4,7-bis(oxidanylidene)indol-2-yl]prop-2-enyl] ethanoate
MOLECULAR FORMULA: C19H20N2O6
MOLECULAR WEIGHT: 372.3719
SMILES: CC(=O)OC/C=C/C1=C(C2=C(N1C)C(=O)C=C(C2=O)N3CC3)COC(=O)C
Structure:
CAS RN: 114560-27-9
CAS Name: carbonic acid [(E)-3-[5-methoxy-3-(methoxycarbonyloxymethyl)-1-methyl-4,7-dioxo-2-indolyl]prop-2-enyl] methyl ester
OPENEYE Name: [(E)-3-[5-methoxy-3-(methoxycarbonyloxymethyl)-1-methyl-4,7-dioxo-indol-2-yl]allyl] methyl carbonate
IUPAC Name: [(E)-3-[5-methoxy-3-(methoxycarbonyloxymethyl)-1-methyl-4,7-dioxoindol-2-yl]prop-2-enyl] methyl carbonate
SYSTEMATIC NAME: [(E)-3-[5-methoxy-3-(methoxycarbonyloxymethyl)-1-methyl-4,7-bis(oxidanylidene)indol-2-yl]prop-2-enyl] methyl carbonate
MOLECULAR FORMULA: C18H19NO9
MOLECULAR WEIGHT: 393.34476
SMILES: CN1C(=C(C2=C1C(=O)C=C(C2=O)OC)COC(=O)OC)/C=C/COC(=O)OC
Structure:
CAS RN: 114560-26-8
CAS Name: acetic acid [(E)-3-[3-(acetyloxymethyl)-5-methoxy-1-methyl-4,7-dioxo-2-indolyl]prop-2-enyl] ester
OPENEYE Name: [(E)-3-[3-(acetoxymethyl)-5-methoxy-1-methyl-4,7-dioxo-indol-2-yl]allyl] acetate
IUPAC Name: [(E)-3-[3-(acetyloxymethyl)-5-methoxy-1-methyl-4,7-dioxoindol-2-yl]prop-2-enyl] acetate
SYSTEMATIC NAME: [(E)-3-[3-(acetyloxymethyl)-5-methoxy-1-methyl-4,7-bis(oxidanylidene)indol-2-yl]prop-2-enyl] ethanoate
MOLECULAR FORMULA: C18H19NO7
MOLECULAR WEIGHT: 361.34596
SMILES: CC(=O)OC/C=C/C1=C(C2=C(N1C)C(=O)C=C(C2=O)OC)COC(=O)C
Structure:
CAS RN: 100596-88-1
CAS Name: 2-amino-3-[[(Z)-1,2-dichloroethenyl]thio]-2-methylpropanoic acid
OPENEYE Name: 2-amino-3-[(Z)-1,2-dichlorovinyl]sulfanyl-2-methyl-propanoic acid
IUPAC Name: 2-amino-3-[(Z)-1,2-dichloroethenyl]sulfanyl-2-methylpropanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[(Z)-1,2-bis(chloranyl)ethenyl]sulfanyl-2-methyl-propanoic acid
MOLECULAR FORMULA: C6H9Cl2NO2S
MOLECULAR WEIGHT: 230.11216
SMILES: CC(CS/C(=C/Cl)/Cl)(C(=O)O)N
Structure:
CAS RN: 99414-76-3
CAS Name: (Z)-2-bromo-2-hexenal
OPENEYE Name: (Z)-2-bromohex-2-enal
IUPAC Name: (Z)-2-bromohex-2-enal
SYSTEMATIC NAME: (Z)-2-bromanylhex-2-enal
MOLECULAR FORMULA: C6H9BrO
MOLECULAR WEIGHT: 177.03906
SMILES: CCC/C=C(/C=O)\Br
Structure:
CAS RN: 99414-75-2
CAS Name: (E)-2,3-dichloro-2-propenal
OPENEYE Name: (E)-2,3-dichloroprop-2-enal
IUPAC Name: (E)-2,3-dichloroprop-2-enal
SYSTEMATIC NAME: (E)-2,3-bis(chloranyl)prop-2-enal
MOLECULAR FORMULA: C3H2Cl2O
MOLECULAR WEIGHT: 124.95338
SMILES: C(=C(\C=O)/Cl)\Cl
Structure:
CAS RN: 99414-74-1
CAS Name: (E)-2-chloro-3-phenyl-2-propenal
OPENEYE Name: (E)-2-chloro-3-phenyl-prop-2-enal
IUPAC Name: (E)-2-chloro-3-phenylprop-2-enal
SYSTEMATIC NAME: (E)-2-chloranyl-3-phenyl-prop-2-enal
MOLECULAR FORMULA: C9H7ClO
MOLECULAR WEIGHT: 166.60428
SMILES: C1=CC=C(C=C1)/C=C(\C=O)/Cl
Structure:
CAS RN: 97945-32-9
CAS Name: 2-[(E)-3-bicyclo[2.2.1]heptanylidenemethyl]-1-methyl-5-nitroimidazole
OPENEYE Name: 1-methyl-5-nitro-2-[(E)-norbornan-2-ylidenemethyl]imidazole
IUPAC Name: 2-[(E)-3-bicyclo[2.2.1]heptanylidenemethyl]-1-methyl-5-nitroimidazole
SYSTEMATIC NAME: 2-[(E)-3-bicyclo[2.2.1]heptanylidenemethyl]-1-methyl-5-nitro-imidazole
MOLECULAR FORMULA: C12H15N3O2
MOLECULAR WEIGHT: 233.2664
SMILES: CN1C(=CN=C1/C=C/2\CC3CCC2C3)[N+](=O)[O-]
Structure:
CAS RN: 97461-42-2
CAS Name: (E)-3-(5-nitro-2-furanyl)-N-pentyl-2-propenamide
OPENEYE Name: (E)-3-(5-nitro-2-furyl)-N-pentyl-prop-2-enamide
IUPAC Name: (E)-3-(5-nitrofuran-2-yl)-N-pentylprop-2-enamide
SYSTEMATIC NAME: (E)-3-(5-nitrofuran-2-yl)-N-pentyl-prop-2-enamide
MOLECULAR FORMULA: C12H16N2O4
MOLECULAR WEIGHT: 252.26644
SMILES: CCCCCNC(=O)/C=C/C1=CC=C(O1)[N+](=O)[O-]
Structure:
CAS RN: 92071-99-3
CAS Name: (1E,3E,5E,7E,9E)-1-methoxyundeca-1,3,5,7,9-pentaene
OPENEYE Name: (1E,3E,5E,7E,9E)-1-methoxyundeca-1,3,5,7,9-pentaene
IUPAC Name: (1E,3E,5E,7E,9E)-1-methoxyundeca-1,3,5,7,9-pentaene
SYSTEMATIC NAME: (1E,3E,5E,7E,9E)-1-methoxyundeca-1,3,5,7,9-pentaene
MOLECULAR FORMULA: C12H16O
MOLECULAR WEIGHT: 176.25484
SMILES: C/C=C/C=C/C=C/C=C/C=C/OC
Structure:
CAS RN: 92071-98-2
CAS Name: (1E,3E,5E,7E)-1-methoxynona-1,3,5,7-tetraene
OPENEYE Name: (1E,3E,5E,7E)-1-methoxynona-1,3,5,7-tetraene
IUPAC Name: (1E,3E,5E,7E)-1-methoxynona-1,3,5,7-tetraene
SYSTEMATIC NAME: (1E,3E,5E,7E)-1-methoxynona-1,3,5,7-tetraene
MOLECULAR FORMULA: C10H14O
MOLECULAR WEIGHT: 150.21756
SMILES: C/C=C/C=C/C=C/C=C/OC
Structure:
CAS RN: 92071-97-1
CAS Name: (1E,3E,5E)-1-methoxyhepta-1,3,5-triene
OPENEYE Name: (1E,3E,5E)-1-methoxyhepta-1,3,5-triene
IUPAC Name: (1E,3E,5E)-1-methoxyhepta-1,3,5-triene
SYSTEMATIC NAME: (1E,3E,5E)-1-methoxyhepta-1,3,5-triene
MOLECULAR FORMULA: C8H12O
MOLECULAR WEIGHT: 124.18028
SMILES: C/C=C/C=C/C=C/OC
Structure:
CAS RN: 91884-88-7
CAS Name: (2E,7E)-1,9-bis(4-hydroxyphenyl)nona-2,7-diene-4,6-dione
OPENEYE Name: (2E,7E)-1,9-bis(4-hydroxyphenyl)nona-2,7-diene-4,6-dione
IUPAC Name: (2E,7E)-1,9-bis(4-hydroxyphenyl)nona-2,7-diene-4,6-dione
SYSTEMATIC NAME: (2E,7E)-1,9-bis(4-hydroxyphenyl)nona-2,7-diene-4,6-dione
MOLECULAR FORMULA: C21H20O4
MOLECULAR WEIGHT: 336.3811
SMILES: C1=CC(=CC=C1C/C=C/C(=O)CC(=O)/C=C/CC2=CC=C(C=C2)O)O
Structure:
CAS RN: 91884-87-6
CAS Name: (2E,7E)-1-(4-hydroxy-3-methoxyphenyl)-9-(4-hydroxyphenyl)nona-2,7-diene-4,6-dione
OPENEYE Name: (2E,7E)-1-(4-hydroxy-3-methoxy-phenyl)-9-(4-hydroxyphenyl)nona-2,7-diene-4,6-dione
IUPAC Name: (2E,7E)-1-(4-hydroxy-3-methoxyphenyl)-9-(4-hydroxyphenyl)nona-2,7-diene-4,6-dione
SYSTEMATIC NAME: (2E,7E)-1-(4-hydroxyphenyl)-9-(3-methoxy-4-oxidanyl-phenyl)nona-2,7-diene-4,6-dione
MOLECULAR FORMULA: C22H22O5
MOLECULAR WEIGHT: 366.40708
SMILES: COC1=C(C=CC(=C1)C/C=C/C(=O)CC(=O)/C=C/CC2=CC=C(C=C2)O)O
Structure:
CAS RN: 91085-62-0
CAS Name: [[(Z)-1,2-dichloroethenyl]thio]methylbenzene
OPENEYE Name: [(Z)-1,2-dichlorovinyl]sulfanylmethylbenzene
IUPAC Name: [(Z)-1,2-dichloroethenyl]sulfanylmethylbenzene
SYSTEMATIC NAME: [(Z)-1,2-bis(chloranyl)ethenyl]sulfanylmethylbenzene
MOLECULAR FORMULA: C9H8Cl2S
MOLECULAR WEIGHT: 219.13082
SMILES: C1=CC=C(C=C1)CS/C(=C/Cl)/Cl
Structure:
CAS RN: 54290-19-6
CAS Name: 6-chloro-2-[(E)-2-(1,2-diphenyl-3-indolyl)ethenyl]-1,3-bis(prop-2-enyl)-2H-imidazo[4,5-b]quinoxalin-9-ium; 4-methylbenzenesulfonic acid
OPENEYE Name: 1,3-diallyl-6-chloro-2-[(E)-2-(1,2-diphenylindol-3-yl)vinyl]-2H-imidazo[4,5-b]quinoxalin-9-ium; 4-methylbenzenesulfonic acid
IUPAC Name: 6-chloro-2-[(E)-2-(1,2-diphenylindol-3-yl)ethenyl]-1,3-bis(prop-2-enyl)-2H-imidazo[4,5-b]quinoxalin-9-ium; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: 6-chloranyl-2-[(E)-2-(1,2-diphenylindol-3-yl)ethenyl]-1,3-bis(prop-2-enyl)-2H-imidazo[4,5-b]quinoxalin-9-ium; 4-methylbenzenesulfonic acid
MOLECULAR FORMULA: C44H39ClN5O3S+
MOLECULAR WEIGHT: 753.33016
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C=CCN1C(N(C2=NC3=C(C=CC(=C3)Cl)[NH+]=C21)CC=C)/C=C/C4=C(N(C5=CC=CC=C54)C6=CC=CC=C6)C7=CC=CC=C7
Structure:
CAS RN: 38897-16-4
CAS Name: 6-chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine; 1H-1,2,4-triazol-5-amine
OPENEYE Name: 6-chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine; 1H-1,2,4-triazol-5-amine
IUPAC Name: 6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine; 1H-1,2,4-triazol-5-amine
SYSTEMATIC NAME: 6-chloranyl-N2,N4-diethyl-1,3,5-triazine-2,4-diamine; 1H-1,2,4-triazol-5-amine
MOLECULAR FORMULA: C9H16ClN9
MOLECULAR WEIGHT: 285.73664
SMILES: CCNC1=NC(=NC(=N1)Cl)NCC.C1=NNC(=N1)N
Structure:
CAS RN: 8015-25-6
CAS Name: 6-chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine; 1H-1,2,4-triazol-5-amine
OPENEYE Name: 6-chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine; 1H-1,2,4-triazol-5-amine
IUPAC Name: 6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine; 1H-1,2,4-triazol-5-amine
SYSTEMATIC NAME: 6-chloranyl-N2,N4-diethyl-1,3,5-triazine-2,4-diamine; 1H-1,2,4-triazol-5-amine
MOLECULAR FORMULA: C9H16ClN9
MOLECULAR WEIGHT: 285.73664
SMILES: CCNC1=NC(=NC(=N1)Cl)NCC.C1=NNC(=N1)N
Structure:
CAS RN: 89300-14-1
CAS Name: (6R,6aS,8Z)-8-ethylidene-2,3,6-trimethoxy-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
OPENEYE Name: (6R,6aS,8Z)-8-ethylidene-2,3,6-trimethoxy-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
IUPAC Name: (6R,6aS,8Z)-8-ethylidene-2,3,6-trimethoxy-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
SYSTEMATIC NAME: (6R,6aS,8Z)-8-ethylidene-2,3,6-trimethoxy-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
MOLECULAR FORMULA: C17H22N2O4
MOLECULAR WEIGHT: 318.36758
SMILES: C/C=C\1/C[C@H]2[C@H](NC3=CC(=C(C=C3C(=O)N2C1)OC)OC)OC
Structure:
CAS RN: 88973-47-1
CAS Name: (2E,4E)-6-hydroxyhexa-2,4-dienoic acid
OPENEYE Name: (2E,4E)-6-hydroxyhexa-2,4-dienoic acid
IUPAC Name: (2E,4E)-6-hydroxyhexa-2,4-dienoic acid
SYSTEMATIC NAME: (2E,4E)-6-oxidanylhexa-2,4-dienoic acid
MOLECULAR FORMULA: C6H8O3
MOLECULAR WEIGHT: 128.12592
SMILES: C(/C=C/C=C/C(=O)O)O
Structure:
CAS RN: 88973-46-0
CAS Name: (2E,4E)-6-oxohexa-2,4-dienoic acid
OPENEYE Name: (2E,4E)-6-oxohexa-2,4-dienoic acid
IUPAC Name: (2E,4E)-6-oxohexa-2,4-dienoic acid
SYSTEMATIC NAME: (2E,4E)-6-oxidanylidenehexa-2,4-dienoic acid
MOLECULAR FORMULA: C6H6O3
MOLECULAR WEIGHT: 126.11004
SMILES: C(=C/C=O)\C=C\C(=O)O
Structure:
CAS RN: 69304-48-9
CAS Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-[(E)-2-iodoethenyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-[(E)-2-iodovinyl]pyrimidine-2,4-dione
IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-iodoethenyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[(E)-2-iodanylethenyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H13IN2O5
MOLECULAR WEIGHT: 380.13579
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/I)CO)O
Structure:
CAS RN: 107634-65-1
CAS Name: disodium 5-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[[4-[bis(2-hydroxyethyl)amino]-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C40H40N12Na2O16S4-2
MOLECULAR WEIGHT: 1119.05594
SMILES: C1=CC(=CC(=C1)S(=O)(=O)[O-])NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)[O-])N(CCO)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 12224-02-1
CAS Name: disodium 5-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[[4-[bis(2-hydroxyethyl)amino]-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C40H40N12Na2O16S4-2
MOLECULAR WEIGHT: 1119.05594
SMILES: C1=CC(=CC(=C1)S(=O)(=O)[O-])NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)[O-])N(CCO)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 12677-04-2
CAS Name: disodium 5-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[[4-[bis(2-hydroxyethyl)amino]-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C40H40N12Na2O16S4-2
MOLECULAR WEIGHT: 1119.05594
SMILES: C1=CC(=CC(=C1)S(=O)(=O)[O-])NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)[O-])N(CCO)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:
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