CAS RN: 16470-25-0
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: 41614-14-6
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: 56509-04-7
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: 66813-34-1
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: 65330-32-7
CAS Name: 2-[(E)-2-(5-nitro-2-furanyl)ethenyl]-1-(phenylmethyl)imidazole
OPENEYE Name: 1-benzyl-2-[(E)-2-(5-nitro-2-furyl)vinyl]imidazole
IUPAC Name: 1-benzyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]imidazole
SYSTEMATIC NAME: 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1-(phenylmethyl)imidazole
MOLECULAR FORMULA: C16H13N3O3
MOLECULAR WEIGHT: 295.29272
SMILES: C1=CC=C(C=C1)CN2C=CN=C2/C=C/C3=CC=C(O3)[N+](=O)[O-]
Structure:
CAS RN: 950-00-5
CAS Name: thiocyanic acid [4-[(Z)-2-nitroprop-1-enyl]phenyl] ester
OPENEYE Name: [4-[(Z)-2-nitroprop-1-enyl]phenyl] thiocyanate
IUPAC Name: [4-[(Z)-2-nitroprop-1-enyl]phenyl] thiocyanate
SYSTEMATIC NAME: [4-[(Z)-2-nitroprop-1-enyl]phenyl] thiocyanate
MOLECULAR FORMULA: C10H8N2O2S
MOLECULAR WEIGHT: 220.24772
SMILES: C/C(=C/C1=CC=C(C=C1)SC#N)/[N+](=O)[O-]
Structure:
CAS RN: 75664-68-5
CAS Name: [(2Z,4Z,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoxy]benzene
OPENEYE Name: [(2Z,4Z,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]benzene
IUPAC Name: [(2Z,4Z,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]benzene
SYSTEMATIC NAME: [(2Z,4Z,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]benzene
MOLECULAR FORMULA: C26H34O
MOLECULAR WEIGHT: 362.54756
SMILES: CC1=C(C(CCC1)(C)C)/C=C\C(=C/C=C\C(=C/COC2=CC=CC=C2)\C)\C
Structure:
CAS RN: 88199-83-1
CAS Name: (Z,11R)-11-hydroxy-11-[(2R,3R)-3-pentyl-2-oxiranyl]-9-undecenoic acid methyl ester
OPENEYE Name: methyl (Z,11R)-11-hydroxy-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-9-enoate
IUPAC Name: methyl (Z,11R)-11-hydroxy-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-9-enoate
SYSTEMATIC NAME: methyl (Z,11R)-11-oxidanyl-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-9-enoate
MOLECULAR FORMULA: C19H34O4
MOLECULAR WEIGHT: 326.47086
SMILES: CCCCC[C@@H]1[C@H](O1)[C@@H](/C=C\CCCCCCCC(=O)OC)O
Structure:
CAS RN: 88199-82-0
CAS Name: (Z,11S)-11-hydroxy-11-[(2R,3R)-3-pentyl-2-oxiranyl]-9-undecenoic acid methyl ester
OPENEYE Name: methyl (Z,11S)-11-hydroxy-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-9-enoate
IUPAC Name: methyl (Z,11S)-11-hydroxy-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-9-enoate
SYSTEMATIC NAME: methyl (Z,11S)-11-oxidanyl-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-9-enoate
MOLECULAR FORMULA: C19H34O4
MOLECULAR WEIGHT: 326.47086
SMILES: CCCCC[C@@H]1[C@H](O1)[C@H](/C=C\CCCCCCCC(=O)OC)O
Structure:
CAS RN: 83248-46-8
CAS Name: (2S)-3-[(1Z,3Z,5Z,7Z,9Z)-dodeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol
OPENEYE Name: (2S)-3-[(1Z,3Z,5Z,7Z,9Z)-dodeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol
IUPAC Name: (2S)-3-[(1Z,3Z,5Z,7Z,9Z)-dodeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol
SYSTEMATIC NAME: (2S)-3-[(1Z,3Z,5Z,7Z,9Z)-dodeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol
MOLECULAR FORMULA: C15H22O3
MOLECULAR WEIGHT: 250.33338
SMILES: CC/C=C\C=C/C=C\C=C/C=C\OC[C@H](CO)O
Structure:
CAS RN: 81450-80-8
CAS Name: benzoic acid [(E)-3-oxobut-1-enyl] ester
OPENEYE Name: [(E)-3-oxobut-1-enyl] benzoate
IUPAC Name: [(E)-3-oxobut-1-enyl] benzoate
SYSTEMATIC NAME: [(E)-3-oxidanylidenebut-1-enyl] benzoate
MOLECULAR FORMULA: C11H10O3
MOLECULAR WEIGHT: 190.1953
SMILES: CC(=O)/C=C/OC(=O)C1=CC=CC=C1
Structure:
CAS RN: 80324-66-9
CAS Name: N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-N-(2-hydroxyethyl)nitrous amide
OPENEYE Name: N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-N-(2-hydroxyethyl)nitrous amide
IUPAC Name: N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-N-(2-hydroxyethyl)nitrous amide
SYSTEMATIC NAME: N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-N-(2-hydroxyethyl)nitrous amide
MOLECULAR FORMULA: C12H22N2O2
MOLECULAR WEIGHT: 226.31528
SMILES: CC(=CCC/C(=C\CN(CCO)N=O)/C)C
Structure:
CAS RN: 80324-65-8
CAS Name: N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-(2-hydroxyethyl)nitrous amide
OPENEYE Name: N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-(2-hydroxyethyl)nitrous amide
IUPAC Name: N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-(2-hydroxyethyl)nitrous amide
SYSTEMATIC NAME: N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-(2-hydroxyethyl)nitrous amide
MOLECULAR FORMULA: C12H22N2O2
MOLECULAR WEIGHT: 226.31528
SMILES: CC(=CCC/C(=C/CN(CCO)N=O)/C)C
Structure:
CAS RN: 63785-57-9
CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-propen-1-ol
OPENEYE Name: (E)-3-(1,3-benzodioxol-5-yl)prop-1-en-1-ol
IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)prop-1-en-1-ol
SYSTEMATIC NAME: (E)-3-(1,3-benzodioxol-5-yl)prop-1-en-1-ol
MOLECULAR FORMULA: C10H10O3
MOLECULAR WEIGHT: 178.1846
SMILES: C1OC2=C(O1)C=C(C=C2)C/C=C/O
Structure:
CAS RN: 105555-81-5
CAS Name: 1-methyl-5-nitro-2-[(Z)-2-phenylprop-1-enyl]imidazole
OPENEYE Name: 1-methyl-5-nitro-2-[(Z)-2-phenylprop-1-enyl]imidazole
IUPAC Name: 1-methyl-5-nitro-2-[(Z)-2-phenylprop-1-enyl]imidazole
SYSTEMATIC NAME: 1-methyl-5-nitro-2-[(Z)-2-phenylprop-1-enyl]imidazole
MOLECULAR FORMULA: C13H13N3O2
MOLECULAR WEIGHT: 243.26122
SMILES: C/C(=C/C1=NC=C(N1C)[N+](=O)[O-])/C2=CC=CC=C2
Structure:
CAS RN: 78524-70-6
CAS Name: dodecyl-(2-hydroxyethyl)-[[4-methoxy-3-[(Z)-2-nitroprop-1-enyl]phenyl]methyl]-methylammonium chloride
OPENEYE Name: dodecyl-(2-hydroxyethyl)-[[4-methoxy-3-[(Z)-2-nitroprop-1-enyl]phenyl]methyl]-methyl-ammonium chloride
IUPAC Name: dodecyl-(2-hydroxyethyl)-[[4-methoxy-3-[(Z)-2-nitroprop-1-enyl]phenyl]methyl]-methylazanium chloride
SYSTEMATIC NAME: dodecyl-(2-hydroxyethyl)-[[4-methoxy-3-[(Z)-2-nitroprop-1-enyl]phenyl]methyl]-methyl-azanium chloride
MOLECULAR FORMULA: C26H45ClN2O4
MOLECULAR WEIGHT: 485.0995
SMILES: CCCCCCCCCCCC[N+](C)(CCO)CC1=CC(=C(C=C1)OC)/C=C(/C)\[N+](=O)[O-].[Cl-]
Structure:
CAS RN: 74550-88-2
CAS Name: (Z)-3-(1-methyl-5-nitro-2-imidazolyl)-2-phenoxy-2-propenoic acid
OPENEYE Name: (Z)-3-(1-methyl-5-nitro-imidazol-2-yl)-2-phenoxy-prop-2-enoic acid
IUPAC Name: (Z)-3-(1-methyl-5-nitroimidazol-2-yl)-2-phenoxyprop-2-enoic acid
SYSTEMATIC NAME: (Z)-3-(1-methyl-5-nitro-imidazol-2-yl)-2-phenoxy-prop-2-enoic acid
MOLECULAR FORMULA: C13H11N3O5
MOLECULAR WEIGHT: 289.24354
SMILES: CN1C(=CN=C1/C=C(/C(=O)O)\OC2=CC=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 69819-96-1
CAS Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-[(E)-3,3,3-trifluoroprop-1-enyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-[(E)-3,3,3-trifluoroprop-1-enyl]pyrimidine-2,4-dione
IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-3,3,3-trifluoroprop-1-enyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[(E)-3,3,3-tris(fluoranyl)prop-1-enyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H13F3N2O5
MOLECULAR WEIGHT: 322.23723
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/C(F)(F)F)CO)O
Structure:
CAS RN: 69489-30-1
CAS Name: (E)-1-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-nonen-3-one hydrochloride
OPENEYE Name: (E)-1-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-one hydrochloride
IUPAC Name: (E)-1-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-one hydrochloride
SYSTEMATIC NAME: (E)-1-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-one hydrochloride
MOLECULAR FORMULA: C18H26Cl3NO
MOLECULAR WEIGHT: 378.76414
SMILES: CCCCCC(CN(C)C)C(=O)/C=C/C1=CC(=C(C=C1)Cl)Cl.Cl
Structure:
CAS RN: 68772-33-8
CAS Name: N-[4-[(6-amino-1-methyl-4-quinolin-1-iumyl)amino]phenyl]-4-[(E)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethenyl]benzamide
OPENEYE Name: N-[4-[(6-amino-1-methyl-quinolin-1-ium-4-yl)amino]phenyl]-4-[(E)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)vinyl]benzamide
IUPAC Name: N-[4-[(6-amino-1-methylquinolin-1-ium-4-yl)amino]phenyl]-4-[(E)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethenyl]benzamide
SYSTEMATIC NAME: N-[4-[(6-azanyl-1-methyl-quinolin-1-ium-4-yl)amino]phenyl]-4-[(E)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethenyl]benzamide
MOLECULAR FORMULA: C29H29N6O+
MOLECULAR WEIGHT: 477.58016
SMILES: C[N+]1=C2C=CC(=CC2=C(C=C1)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)/C=C/C5=NCCCN5)N
Structure:
CAS RN: 68598-13-0
CAS Name: decyl-(2-hydroxyethyl)-[[4-methoxy-3-[(Z)-2-nitroprop-1-enyl]phenyl]methyl]-methylammonium chloride
OPENEYE Name: decyl-(2-hydroxyethyl)-[[4-methoxy-3-[(Z)-2-nitroprop-1-enyl]phenyl]methyl]-methyl-ammonium chloride
IUPAC Name: decyl-(2-hydroxyethyl)-[[4-methoxy-3-[(Z)-2-nitroprop-1-enyl]phenyl]methyl]-methylazanium chloride
SYSTEMATIC NAME: decyl-(2-hydroxyethyl)-[[4-methoxy-3-[(Z)-2-nitroprop-1-enyl]phenyl]methyl]-methyl-azanium chloride
MOLECULAR FORMULA: C24H41ClN2O4
MOLECULAR WEIGHT: 457.04634
SMILES: CCCCCCCCCC[N+](C)(CCO)CC1=CC(=C(C=C1)OC)/C=C(/C)\[N+](=O)[O-].[Cl-]
Structure:
CAS RN: 68598-06-1
CAS Name: 4-[[4-methoxy-3-[(E)-2-nitroprop-1-enyl]phenyl]methyl]-4-tetradecylmorpholin-4-ium chloride
OPENEYE Name: 4-[[4-methoxy-3-[(E)-2-nitroprop-1-enyl]phenyl]methyl]-4-tetradecyl-morpholin-4-ium chloride
IUPAC Name: 4-[[4-methoxy-3-[(E)-2-nitroprop-1-enyl]phenyl]methyl]-4-tetradecylmorpholin-4-ium chloride
SYSTEMATIC NAME: 4-[[4-methoxy-3-[(E)-2-nitroprop-1-enyl]phenyl]methyl]-4-tetradecyl-morpholin-4-ium chloride
MOLECULAR FORMULA: C29H49ClN2O4
MOLECULAR WEIGHT: 525.16336
SMILES: CCCCCCCCCCCCCC[N+]1(CCOCC1)CC2=CC(=C(C=C2)OC)/C=C(\C)/[N+](=O)[O-].[Cl-]
Structure:
CAS RN: 68597-99-9
CAS Name: dodecyl-(2-hydroxyethyl)-[[2-methoxy-5-[(Z)-2-nitroprop-1-enyl]phenyl]methyl]-methylammonium chloride
OPENEYE Name: dodecyl-(2-hydroxyethyl)-[[2-methoxy-5-[(Z)-2-nitroprop-1-enyl]phenyl]methyl]-methyl-ammonium chloride
IUPAC Name: dodecyl-(2-hydroxyethyl)-[[2-methoxy-5-[(Z)-2-nitroprop-1-enyl]phenyl]methyl]-methylazanium chloride
SYSTEMATIC NAME: dodecyl-(2-hydroxyethyl)-[[2-methoxy-5-[(Z)-2-nitroprop-1-enyl]phenyl]methyl]-methyl-azanium chloride
MOLECULAR FORMULA: C26H45ClN2O4
MOLECULAR WEIGHT: 485.0995
SMILES: CCCCCCCCCCCC[N+](C)(CCO)CC1=C(C=CC(=C1)/C=C(/C)\[N+](=O)[O-])OC.[Cl-]
Structure:
CAS RN: 120336-54-1
CAS Name: N'-[[6-[[6-[[6-[[3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanyl]methoxy]-3,4,5-trihydroxy-2-oxanyl]methyl]-3-[4-[(1Z)-6-phenylhexa-1,3,5-trienyl]phenyl]propanehydrazide
OPENEYE Name: N'-[[6-[[6-[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl]-3-[4-[(1Z)-6-phenylhexa-1,3,5-
IUPAC Name: N'-[[6-[[6-[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl]-3-[4-[(1Z)-6-phenylhexa-1,3,5-trienyl]phenyl]propanehydrazide
SYSTEMATIC NAME: N'-[[6-[[6-[6-[2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]-3-[4-[(1Z)-6-phenylhexa-1,3,5-trienyl]phenyl]propanehydraz
MOLECULAR FORMULA: C45H62N2O21
MOLECULAR WEIGHT: 966.97458
SMILES: C1=CC=C(C=C1)C=CC=C/C=C\C2=CC=C(C=C2)CCC(=O)NNCC3C(C(C(C(O3)OCC4C(C(C(C(O4)OC5C(OC(C(C5O)O)OC6(C(C(C(O6)CO)O)O)CO)CO)O)O)O)O)O)O
Structure:
CAS RN: 120203-60-3
CAS Name: 3-[(2S)-2-[(1R,2R,3R,4R,6R)-3-hydroxy-6-[(E)-3-hydroxy-2-[(2R,5S,6S)-6-[(E)-4-[(2S,3R,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxypropyl]-2-oxolanyl]-3,5-dimethyl-2-oxolanyl]but-2-en-2-yl]-5-methyl-2-oxanyl]prop-1-enyl]-2-(hydroxymethyl)-4-methylcyclohexyl]-2-methoxy
OPENEYE Name: 3-[(2S)-2-[(1R,2R,3R,4R,6R)-3-hydroxy-6-[(E)-3-hydroxy-2-[(2R,5S,6S)-6-[(E)-3-[(2S,3R,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxypropyl]tetrahydrofuran-2-yl]-3,5-dimethyl-tetrahydrofuran-2-yl]-1-methyl-prop-1-enyl]-5-methyl-tetrahydropyran-2-yl]prop-1-enyl]-2-(hydro
IUPAC Name: 3-[(2S)-2-[(1R,2R,3R,4R,6R)-3-hydroxy-6-[(E)-3-hydroxy-2-[(2R,5S,6S)-6-[(E)-4-[(2S,3R,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxypropyl]oxolan-2-yl]-3,5-dimethyloxolan-2-yl]but-2-en-2-yl]-5-methyloxan-2-yl]prop-1-enyl]-2-(hydroxymethyl)-4-methylcyclohexyl]-2-methoxy
SYSTEMATIC NAME: 3-[(2S)-2-[(1R,2R,3R,4R,6R)-6-[(E)-2-[(2R,5S,6S)-6-[(E)-4-[(2S,3R,5S)-3,5-dimethyl-5-[(2R,5S)-5-[(1R)-1-oxidanylpropyl]oxolan-2-yl]oxolan-2-yl]but-2-en-2-yl]-5-methyl-oxan-2-yl]-3-oxidanyl-prop-1-enyl]-2-(hydroxymethyl)-4-methyl-3-oxidanyl-cyclohexyl]-2-m
MOLECULAR FORMULA: C42H64NaO12
MOLECULAR WEIGHT: 783.94013
SMILES: CC[C@H]([C@@H]1CC[C@@H](O1)[C@@]2(C[C@H]([C@@H](O2)C/C=C(\C)/[C@@H]3[C@H](CC[C@@H](O3)/C(=C/[C@H]4C[C@H]([C@H]([C@H]([C@@H]4[C@@H](C(=O)C5C(=O)C(=C)OC5=O)OC)CO)O)C)/CO)C)C)C)O.[Na]
Structure:
CAS RN: 120146-92-1
CAS Name: acetic acid hydroxymethyl ester; 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid
OPENEYE Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]heptanoic acid; hydroxymethyl acetate
IUPAC Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid; hydroxymethyl acetate
SYSTEMATIC NAME: hydroxymethyl ethanoate; 7-[(1R,2R,3R)-3-oxidanyl-5-oxidanylidene-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]heptanoic acid
MOLECULAR FORMULA: C23H40O8
MOLECULAR WEIGHT: 444.5589
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O.CC(=O)OCO
Structure:
CAS RN: 66270-29-9
CAS Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione
IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H16N2O5
MOLECULAR WEIGHT: 268.26584
SMILES: C/C=C/C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
Structure:
CAS RN: 65570-26-5
CAS Name: (E)-2-dodecen-4-one
OPENEYE Name: (E)-dodec-2-en-4-one
IUPAC Name: (E)-dodec-2-en-4-one
SYSTEMATIC NAME: (E)-dodec-2-en-4-one
MOLECULAR FORMULA: C12H22O
MOLECULAR WEIGHT: 182.30248
SMILES: CCCCCCCCC(=O)/C=C/C
Structure:
CAS RN: 65330-31-6
CAS Name: 1-[(4-methoxyphenyl)methyl]-2-[(E)-2-(5-nitro-2-furanyl)ethenyl]imidazole
OPENEYE Name: 1-[(4-methoxyphenyl)methyl]-2-[(E)-2-(5-nitro-2-furyl)vinyl]imidazole
IUPAC Name: 1-[(4-methoxyphenyl)methyl]-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]imidazole
SYSTEMATIC NAME: 1-[(4-methoxyphenyl)methyl]-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]imidazole
MOLECULAR FORMULA: C17H15N3O4
MOLECULAR WEIGHT: 325.3187
SMILES: COC1=CC=C(C=C1)CN2C=CN=C2/C=C/C3=CC=C(O3)[N+](=O)[O-]
Structure:
CAS RN: 64924-17-0
CAS Name: (2E,4E)-5-[3-(9-acridinylamino)phenyl]penta-2,4-dienoic acid hydrochloride
OPENEYE Name: (2E,4E)-5-[3-(acridin-9-ylamino)phenyl]penta-2,4-dienoic acid hydrochloride
IUPAC Name: (2E,4E)-5-[3-(acridin-9-ylamino)phenyl]penta-2,4-dienoic acid hydrochloride
SYSTEMATIC NAME: (2E,4E)-5-[3-(acridin-9-ylamino)phenyl]penta-2,4-dienoic acid hydrochloride
MOLECULAR FORMULA: C24H19ClN2O2
MOLECULAR WEIGHT: 402.87286
SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=CC(=C4)/C=C/C=C/C(=O)O.Cl
Structure:
CAS RN: 102415-35-0
CAS Name: 2,2-dimethyl-5-[(E)-prop-1-enyl]-3-furanone
OPENEYE Name: 2,2-dimethyl-5-[(E)-prop-1-enyl]furan-3-one
IUPAC Name: 2,2-dimethyl-5-[(E)-prop-1-enyl]furan-3-one
SYSTEMATIC NAME: 2,2-dimethyl-5-[(E)-prop-1-enyl]furan-3-one
MOLECULAR FORMULA: C9H12O2
MOLECULAR WEIGHT: 152.19038
SMILES: C/C=C/C1=CC(=O)C(O1)(C)C
Structure:
CAS RN: 120853-14-7
CAS Name: acetic acid [(E)-7-[10-[3-[[3-hydroxy-2-methyl-4-[[2-[3-methyl-6-[(E)-2-oxopent-3-enyl]-2-oxanyl]-1-oxoethyl]amino]-1-oxobutyl]amino]propyl]-9-methyl-5,11-dioxaspiro[5.5]undecan-4-yl]-3,5-dimethylhept-3-en-2-yl] ester
OPENEYE Name: [(E)-6-[10-[3-[[3-hydroxy-2-methyl-4-[[2-[3-methyl-6-[(E)-2-oxopent-3-enyl]tetrahydropyran-2-yl]acetyl]amino]butanoyl]amino]propyl]-9-methyl-5,11-dioxaspiro[5.5]undecan-4-yl]-1,2,4-trimethyl-hex-2-enyl] acetate
IUPAC Name: [(E)-7-[10-[3-[[3-hydroxy-2-methyl-4-[[2-[3-methyl-6-[(E)-2-oxopent-3-enyl]oxan-2-yl]acetyl]amino]butanoyl]amino]propyl]-9-methyl-5,11-dioxaspiro[5.5]undecan-4-yl]-3,5-dimethylhept-3-en-2-yl] acetate
SYSTEMATIC NAME: [(E)-3,5-dimethyl-7-[9-methyl-10-[3-[[2-methyl-4-[2-[3-methyl-6-[(E)-2-oxidanylidenepent-3-enyl]oxan-2-yl]ethanoylamino]-3-oxidanyl-butanoyl]amino]propyl]-5,11-dioxaspiro[5.5]undecan-4-yl]hept-3-en-2-yl] ethanoate
MOLECULAR FORMULA: C42H70N2O9
MOLECULAR WEIGHT: 747.0132
SMILES: C/C=C/C(=O)CC1CCC(C(O1)CC(=O)NCC(C(C)C(=O)NCCCC2C(CCC3(O2)CCCC(O3)CCC(C)/C=C(\C)/C(C)OC(=O)C)C)O)C
Structure:
CAS RN: 120851-46-9
CAS Name: 2-[(14E)-9-[[4-(dimethylamino)-3-hydroxy-5-[[(2R,5R,6S)-5-hydroxy-6-methyl-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde
OPENEYE Name: 2-[(14E)-9-[4-(dimethylamino)-3-hydroxy-5-[(2R,5R,6S)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde
IUPAC Name: 2-[(14E)-9-[4-(dimethylamino)-3-hydroxy-5-[(2R,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde
SYSTEMATIC NAME: 2-[(14E)-9-[4-(dimethylamino)-6-methyl-5-[(2R,5R,6S)-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-2,8,12,16-tetramethyl-7-oxidanyl-5,13-bis(oxidanylidene)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]ethanal
MOLECULAR FORMULA: C37H61NO12
MOLECULAR WEIGHT: 711.87974
SMILES: CCC1C(C2C(O2)(/C=C/C(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC3C(C(C(C(O3)C)O[C@@H]4CC[C@H]([C@@H](O4)C)O)N(C)C)O)CC=O)C)C)C
Structure:
CAS RN: 120811-38-3
CAS Name: 2-[[1-cyclohexenyl(oxo)methyl]amino]propanoic acid [(4E,10Z,12E,14E)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-19-azabicyclo[18.3.1]tetracosa-1(24),4,10,12,14,20,22-heptaen-8-yl] ester
OPENEYE Name: [(4E,10Z,12E,14E)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-19-azabicyclo[18.3.1]tetracosa-1(24),4,10,12,14,20,22-heptaen-8-yl] 2-(cyclohexene-1-carbonylamino)propanoate
IUPAC Name: [(4E,10Z,12E,14E)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-19-azabicyclo[18.3.1]tetracosa-1(24),4,10,12,14,20,22-heptaen-8-yl] 2-(cyclohexene-1-carbonylamino)propanoate
SYSTEMATIC NAME: [(4E,10Z,12E,14E)-16-methoxy-5,7-dimethyl-6,22-bis(oxidanyl)-18-oxidanylidene-19-azabicyclo[18.3.1]tetracosa-1(24),4,10,12,14,20,22-heptaen-8-yl] 2-(cyclohexen-1-ylcarbonylamino)propanoate
MOLECULAR FORMULA: C36H48N2O7
MOLECULAR WEIGHT: 620.77552
SMILES: CC1C(C/C=C\C=C\C=C\C(CC(=O)NC2=CC(=CC(=C2)CC/C=C(/C1O)\C)O)OC)OC(=O)C(C)NC(=O)C3=CCCCC3
Structure:
CAS RN: 64253-16-3
CAS Name: acetic acid [N-acetyl-2-[(E)-2-phenylethenyl]anilino] ester
OPENEYE Name: [N-acetyl-2-[(E)-styryl]anilino] acetate
IUPAC Name: [N-acetyl-2-[(E)-2-phenylethenyl]anilino] acetate
SYSTEMATIC NAME: [ethanoyl-[2-[(E)-2-phenylethenyl]phenyl]amino] ethanoate
MOLECULAR FORMULA: C18H17NO3
MOLECULAR WEIGHT: 295.33248
SMILES: CC(=O)N(C1=CC=CC=C1/C=C/C2=CC=CC=C2)OC(=O)C
Structure:
CAS RN: 64190-82-5
CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid eicosyl ester
OPENEYE Name: icosyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
IUPAC Name: icosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: icosyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C30H50O4
MOLECULAR WEIGHT: 474.7156
SMILES: CCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC(=C(C=C1)O)OC
Structure:
CAS RN: 64190-80-3
CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid hexadecyl ester
OPENEYE Name: hexadecyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
IUPAC Name: hexadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: hexadecyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C26H42O4
MOLECULAR WEIGHT: 418.60928
SMILES: CCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC(=C(C=C1)O)OC
Structure:
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