CAS RN: 101842-61-9
CAS Name: 2-methyl-2-propenoic acid; 2-methyl-2-propenoic acid ethyl ester; 2-methyl-2-propenoic acid 2-hydroxyethyl ester
OPENEYE Name: ethyl 2-methylprop-2-enoate; 2-hydroxyethyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid
IUPAC Name: ethyl 2-methylprop-2-enoate; 2-hydroxyethyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid
SYSTEMATIC NAME: ethyl 2-methylprop-2-enoate; 2-hydroxyethyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid
MOLECULAR FORMULA: C16H26O7
MOLECULAR WEIGHT: 330.37344
SMILES: CCOC(=O)C(=C)C.CC(=C)C(=O)O.CC(=C)C(=O)OCCO
Structure:
CAS RN: 101772-44-5
CAS Name: N-[2-[[[2-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-4-imidazolyl]amino]-oxomethyl]-1-methyl-4-imidazolyl]-4-[[2-(diaminomethylideneamino)-1-oxoethyl]amino]-1-methyl-2-imidazolecarboxamide
OPENEYE Name: N-[2-[[2-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]-4-[(2-guanidinoacetyl)amino]-1-methyl-imidazole-2-carboxamide
IUPAC Name: N-[2-[[2-[(3-amino-3-iminopropyl)carbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylimidazole-2-carboxamide
SYSTEMATIC NAME: N-[2-[[2-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]-4-[2-[bis(azanyl)methylideneamino]ethanoylamino]-1-methyl-imidazole-2-carboxamide
MOLECULAR FORMULA: C21H29N15O4
MOLECULAR WEIGHT: 555.55306
SMILES: CN1C=C(N=C1C(=O)NC2=CN(C(=N2)C(=O)NC3=CN(C(=N3)C(=O)NCCC(=N)N)C)C)NC(=O)CN=C(N)N
Structure:
CAS RN: 101772-44-5
CAS Name: N-[2-[[[2-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-4-imidazolyl]amino]-oxomethyl]-1-methyl-4-imidazolyl]-4-[[2-(diaminomethylideneamino)-1-oxoethyl]amino]-1-methyl-2-imidazolecarboxamide dihydrochloride
OPENEYE Name: N-[2-[[2-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]-4-[(2-guanidinoacetyl)amino]-1-methyl-imidazole-2-carboxamide dihydrochloride
IUPAC Name: N-[2-[[2-[(3-amino-3-iminopropyl)carbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylimidazole-2-carboxamide dihydrochloride
SYSTEMATIC NAME: N-[2-[[2-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]-4-[2-[bis(azanyl)methylideneamino]ethanoylamino]-1-methyl-imidazole-2-carboxamide dihydrochloride
MOLECULAR FORMULA: C21H31Cl2N15O4
MOLECULAR WEIGHT: 628.47494
SMILES: CN1C=C(N=C1C(=O)NC2=CN(C(=N2)C(=O)NC3=CN(C(=N3)C(=O)NCCC(=N)N)C)C)NC(=O)CN=C(N)N.Cl.Cl
Structure:
CAS RN: 101772-41-2
CAS Name: N-(3-amino-3-iminopropyl)-4-[[[4-[[2-(diaminomethylideneamino)-1-oxoethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-imidazolecarboxamide
OPENEYE Name: N-(3-amino-3-imino-propyl)-4-[[4-[(2-guanidinoacetyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-imidazole-2-carboxamide
IUPAC Name: N-(3-amino-3-iminopropyl)-4-[[4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carboxamide
SYSTEMATIC NAME: N-(3-azanyl-3-azanylidene-propyl)-4-[[4-[2-[bis(azanyl)methylideneamino]ethanoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-imidazole-2-carboxamide
MOLECULAR FORMULA: C17H25N11O3
MOLECULAR WEIGHT: 431.4523
SMILES: CN1C=C(C=C1C(=O)NC2=CN(C(=N2)C(=O)NCCC(=N)N)C)NC(=O)CN=C(N)N
Structure:
CAS RN: 101772-41-2
CAS Name: N-(3-amino-3-iminopropyl)-4-[[[4-[[2-(diaminomethylideneamino)-1-oxoethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-imidazolecarboxamide; sulfuric acid
OPENEYE Name: N-(3-amino-3-imino-propyl)-4-[[4-[(2-guanidinoacetyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-imidazole-2-carboxamide; sulfuric acid
IUPAC Name: N-(3-amino-3-iminopropyl)-4-[[4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carboxamide; sulfuric acid
SYSTEMATIC NAME: N-(3-azanyl-3-azanylidene-propyl)-4-[[4-[2-[bis(azanyl)methylideneamino]ethanoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-imidazole-2-carboxamide; sulfuric acid
MOLECULAR FORMULA: C17H27N11O7S
MOLECULAR WEIGHT: 529.53078
SMILES: CN1C=C(C=C1C(=O)NC2=CN(C(=N2)C(=O)NCCC(=N)N)C)NC(=O)CN=C(N)N.OS(=O)(=O)O
Structure:
CAS RN: 101462-56-0
CAS Name: (5S,8R,9S,10S,13R,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (5S,8R,9S,10S,13R,14S)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (5S,8R,9S,10S,13R,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (5S,8R,9S,10S,13R,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C27H46O
MOLECULAR WEIGHT: 386.65354
SMILES: C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC=C(C4)O)C)C
Structure:
CAS RN: 101311-75-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H30N2O11
MOLECULAR WEIGHT: 522.5018
SMILES: C[C@@]12CO[C@H]3N1[C@@H](CC4=C2C(=CC=C4)OC)[C@@H]5[C@@H](C[C@H]3N5)C(=O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Structure:
CAS RN: 101232-26-2
CAS Name: [(2R)-4-(2-amino-6-oxo-3H-purin-9-yl)-1-hydroxybutan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
OPENEYE Name: [[(1R)-3-(2-amino-6-oxo-3H-purin-9-yl)-1-(hydroxymethyl)propoxy]-hydroxy-phosphoryl] phosphono hydrogen phosphate
IUPAC Name: [(2R)-4-(2-amino-6-oxo-3H-purin-9-yl)-1-hydroxybutan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
SYSTEMATIC NAME: [(2R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-1-oxidanyl-butan-2-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate
MOLECULAR FORMULA: C9H16N5O12P3
MOLECULAR WEIGHT: 479.170923
SMILES: C1=NC2=C(N1CC[C@H](CO)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)NC(=NC2=O)N
Structure:
CAS RN: 101135-03-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H15NO3
MOLECULAR WEIGHT: 293.3166
SMILES: CC1=C2C=CC3=C(C2=NC4=CC=CC=C14)C5C(O5)C(C3O)O
Structure:
CAS RN: 101222-81-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H15NO3
MOLECULAR WEIGHT: 293.3166
SMILES: CC1=C2C=CC3=C(C2=NC4=CC=CC=C14)C5C(O5)C(C3O)O
Structure:
CAS RN: 101012-81-1
CAS Name: 3-(diethylamino)phenol hydrochloride
OPENEYE Name: 3-(diethylamino)phenol hydrochloride
IUPAC Name: 3-(diethylamino)phenol hydrochloride
SYSTEMATIC NAME: 3-(diethylamino)phenol hydrochloride
MOLECULAR FORMULA: C10H16ClNO
MOLECULAR WEIGHT: 201.69314
SMILES: CCN(CC)C1=CC(=CC=C1)O.Cl
Structure:
CAS RN: 100994-51-2
CAS Name: copper(1+); 1,10-phenanthroline
OPENEYE Name: cuprous 1,10-phenanthroline
IUPAC Name: copper(1+); 1,10-phenanthroline
SYSTEMATIC NAME: copper(1+); 1,10-phenanthroline
MOLECULAR FORMULA: C12H8CuN2+
MOLECULAR WEIGHT: 243.75132
SMILES: C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Cu+]
Structure:
CAS RN: 100857-42-9
CAS Name: 3-[(3S,5S,8R,9S,10S,13R,17R)-3-[[(2R,3R,4S,5S,6R)-3-[[(4R,5S,6R)-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H
OPENEYE Name: 3-[(3S,5S,8R,9S,10S,13R,17R)-3-[(2R,3R,4S,5S,6R)-3-[(4R,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]ph
IUPAC Name: 3-[(3S,5S,8R,9S,10S,13R,17R)-3-[(2R,3R,4S,5S,6R)-3-[(4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-fur
SYSTEMATIC NAME: 3-[(3S,5S,8R,9S,10S,13R,17R)-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(4R,5S,6R)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-y
MOLECULAR FORMULA: C35H54O12
MOLECULAR WEIGHT: 666.79606
SMILES: C[C@@H]1[C@H]([C@@H](CC(O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3CC[C@]4([C@H](C3)CC[C@@H]5[C@@H]4CC[C@]6(C5(CC[C@@H]6C7=CC(=O)OC7)O)C)C)CO)O)O)O)O
Structure:
CAS RN: 100821-69-0
CAS Name: 1-methyl-1-nitroso-3-[(2R,3R,4R,5R)-4,5,6-trihydroxy-3-methoxy-1-oxohexan-2-yl]urea
OPENEYE Name: 3-[(1R,2R,3R,4R)-1-formyl-3,4,5-trihydroxy-2-methoxy-pentyl]-1-methyl-1-nitroso-urea
IUPAC Name: 1-methyl-1-nitroso-3-[(2R,3R,4R,5R)-4,5,6-trihydroxy-3-methoxy-1-oxohexan-2-yl]urea
SYSTEMATIC NAME: 3-[(2R,3R,4R,5R)-3-methoxy-4,5,6-tris(oxidanyl)-1-oxidanylidene-hexan-2-yl]-1-methyl-1-nitroso-urea
MOLECULAR FORMULA: C9H17N3O7
MOLECULAR WEIGHT: 279.24718
SMILES: CN(C(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)OC)N=O
Structure:
CAS RN: 100567-97-3
CAS Name: 1-(4-bromophenyl)-1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
OPENEYE Name: 1-(4-bromophenyl)-1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
IUPAC Name: 1-(4-bromophenyl)-1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
SYSTEMATIC NAME: 1-(4-bromophenyl)-1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
MOLECULAR FORMULA: C16H13BrClN3O
MOLECULAR WEIGHT: 378.65092
SMILES: C1=CC(=CC=C1C(CN2C=NC=N2)(C3=CC=C(C=C3)Br)O)Cl
Structure:
CAS RN: 100567-95-1
CAS Name: 2-(1,2,4-triazol-1-yl)-1,1-bis[4-(trifluoromethyl)phenyl]ethanol
OPENEYE Name: 2-(1,2,4-triazol-1-yl)-1,1-bis[4-(trifluoromethyl)phenyl]ethanol
IUPAC Name: 2-(1,2,4-triazol-1-yl)-1,1-bis[4-(trifluoromethyl)phenyl]ethanol
SYSTEMATIC NAME: 2-(1,2,4-triazol-1-yl)-1,1-bis[4-(trifluoromethyl)phenyl]ethanol
MOLECULAR FORMULA: C18H13F6N3O
MOLECULAR WEIGHT: 401.305739
SMILES: C1=CC(=CC=C1C(CN2C=NC=N2)(C3=CC=C(C=C3)C(F)(F)F)O)C(F)(F)F
Structure:
CAS RN: 100516-18-5
CAS Name: 3-benzo[k]fluoranthenol
OPENEYE Name: benzo[k]fluoranthen-3-ol
IUPAC Name: benzo[k]fluoranthen-3-ol
SYSTEMATIC NAME: benzo[k]fluoranthen-3-ol
MOLECULAR FORMULA: C20H12O
MOLECULAR WEIGHT: 268.30868
SMILES: C1=CC=C2C=C3C4=CC=CC5=C(C=CC(=C54)C3=CC2=C1)O
Structure:
CAS RN: 100402-78-6
CAS Name: dioxosilane; 2-methyl-2-propenoic acid 3-trimethoxysilylpropyl ester
OPENEYE Name: dioxosilane; 3-trimethoxysilylpropyl 2-methylprop-2-enoate
IUPAC Name: dioxosilane; 3-trimethoxysilylpropyl 2-methylprop-2-enoate
SYSTEMATIC NAME: bis(oxidanylidene)silane; 3-trimethoxysilylpropyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C10H20O7Si2
MOLECULAR WEIGHT: 308.4326
SMILES: CC(=C)C(=O)OCCC[Si](OC)(OC)OC.O=[Si]=O
Structure:
CAS RN: 100113-01-7
CAS Name: 9-amino-N-[2-(dimethylamino)ethyl]-1-methoxy-4-acridinecarboxamide dihydrochloride
OPENEYE Name: 9-amino-N-[2-(dimethylamino)ethyl]-1-methoxy-acridine-4-carboxamide dihydrochloride
IUPAC Name: 9-amino-N-[2-(dimethylamino)ethyl]-1-methoxyacridine-4-carboxamide dihydrochloride
SYSTEMATIC NAME: 9-azanyl-N-[2-(dimethylamino)ethyl]-1-methoxy-acridine-4-carboxamide dihydrochloride
MOLECULAR FORMULA: C19H24Cl2N4O2
MOLECULAR WEIGHT: 411.32546
SMILES: CN(C)CCNC(=O)C1=CC=C(C2=C(C3=CC=CC=C3N=C12)N)OC.Cl.Cl
Structure:
CAS RN: 101026-87-3
CAS Name: 4-(4-aminophenoxy)aniline; benzene-1,3-diamine; 5-[(1,3-dioxo-5-isobenzofuranyl)-oxomethyl]isobenzofuran-1,3-dione; 2-methyl-2-propenoic acid 2-hydroxyethyl ester
OPENEYE Name: 4-(4-aminophenoxy)aniline; benzene-1,3-diamine; 5-(1,3-dioxoisobenzofuran-5-carbonyl)isobenzofuran-1,3-dione; 2-hydroxyethyl 2-methylprop-2-enoate
IUPAC Name: 4-(4-aminophenoxy)aniline; benzene-1,3-diamine; 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione; 2-hydroxyethyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 4-(4-azanylphenoxy)aniline; benzene-1,3-diamine; 5-[[1,3-bis(oxidanylidene)-2-benzofuran-5-yl]carbonyl]-2-benzofuran-1,3-dione; 2-hydroxyethyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C41H36N4O11
MOLECULAR WEIGHT: 760.74474
SMILES: CC(=C)C(=O)OCCO.C1=CC(=CC(=C1)N)N.C1=CC(=CC=C1N)OC2=CC=C(C=C2)N.C1=CC2=C(C=C1C(=O)C3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O
Structure:
CAS RN: 99904-22-0
CAS Name: 4-(4-aminophenoxy)aniline; benzene-1,3-diamine; 5-[(1,3-dioxo-5-isobenzofuranyl)-oxomethyl]isobenzofuran-1,3-dione; 2-methyl-2-propenoic acid 2-hydroxyethyl ester
OPENEYE Name: 4-(4-aminophenoxy)aniline; benzene-1,3-diamine; 5-(1,3-dioxoisobenzofuran-5-carbonyl)isobenzofuran-1,3-dione; 2-hydroxyethyl 2-methylprop-2-enoate
IUPAC Name: 4-(4-aminophenoxy)aniline; benzene-1,3-diamine; 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione; 2-hydroxyethyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 4-(4-azanylphenoxy)aniline; benzene-1,3-diamine; 5-[[1,3-bis(oxidanylidene)-2-benzofuran-5-yl]carbonyl]-2-benzofuran-1,3-dione; 2-hydroxyethyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C41H36N4O11
MOLECULAR WEIGHT: 760.74474
SMILES: CC(=C)C(=O)OCCO.C1=CC(=CC(=C1)N)N.C1=CC(=CC=C1N)OC2=CC=C(C=C2)N.C1=CC2=C(C=C1C(=O)C3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O
Structure:
CAS RN: 99869-40-6
CAS Name: hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; 2-methyloxirane; oxirane; propane-1,2,3-triol
OPENEYE Name: glycerol; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; 2-methyloxirane; oxirane
IUPAC Name: hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; 2-methyloxirane; oxirane; propane-1,2,3-triol
SYSTEMATIC NAME: hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; 2-methyloxirane; oxirane; propane-1,2,3-triol
MOLECULAR FORMULA: C39H62N2O13
MOLECULAR WEIGHT: 766.91518
SMILES: CC1CO1.CC1CO1.CC1CO1.C1CO1.C1CO1.C1CO1.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C(CCCO)CCO.C(C(CO)O)O
Structure:
CAS RN: 99823-74-2
CAS Name: 2-[(4-chloroanilino)-oxomethyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylic acid methyl ester
OPENEYE Name: methyl 5-(4-chlorophenyl)-2-[(4-chlorophenyl)carbamoyl]-4-methyl-3H-pyrazole-4-carboxylate
IUPAC Name: methyl 5-(4-chlorophenyl)-2-[(4-chlorophenyl)carbamoyl]-4-methyl-3H-pyrazole-4-carboxylate
SYSTEMATIC NAME: methyl 5-(4-chlorophenyl)-2-[(4-chlorophenyl)carbamoyl]-4-methyl-3H-pyrazole-4-carboxylate
MOLECULAR FORMULA: C19H17Cl2N3O3
MOLECULAR WEIGHT: 406.26258
SMILES: CC1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Cl)C(=O)OC
Structure:
CAS RN: 110-64-5
CAS Name: (E)-2-butene-1,4-diol
OPENEYE Name: (E)-but-2-ene-1,4-diol
IUPAC Name: (E)-but-2-ene-1,4-diol
SYSTEMATIC NAME: (E)-but-2-ene-1,4-diol
MOLECULAR FORMULA: C4H8O2
MOLECULAR WEIGHT: 88.10512
SMILES: C(/C=C/CO)O
Structure:
CAS RN: 821-11-4
CAS Name: (E)-2-butene-1,4-diol
OPENEYE Name: (E)-but-2-ene-1,4-diol
IUPAC Name: (E)-but-2-ene-1,4-diol
SYSTEMATIC NAME: (E)-but-2-ene-1,4-diol
MOLECULAR FORMULA: C4H8O2
MOLECULAR WEIGHT: 88.10512
SMILES: C(/C=C/CO)O
Structure:
CAS RN: 99784-49-3
CAS Name: 1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene; 2-methyloxirane; propane-1,2-diol
OPENEYE Name: 1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene; 2-methyloxirane; propane-1,2-diol
IUPAC Name: 1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene; 2-methyloxirane; propane-1,2-diol
SYSTEMATIC NAME: 1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene; 2-methyloxirane; propane-1,2-diol
MOLECULAR FORMULA: C21H24N2O5
MOLECULAR WEIGHT: 384.42566
SMILES: CC1CO1.CC(CO)O.C1=CC(=CC(=C1)N=C=O)CC2=CC(=CC=C2)N=C=O
Structure:
CAS RN: 99770-02-2
CAS Name: ethane-1,2-diol; 2-(2-hydroxyethoxy)ethanol; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol; 2-methyloxirane; oxirane; terephthalic acid
OPENEYE Name: ethylene glycol; 2-(2-hydroxyethoxy)ethanol; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3,4,5-triol; 2-methyloxirane; oxirane; terephthalic acid
IUPAC Name: ethane-1,2-diol; 2-(2-hydroxyethoxy)ethanol; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol; 2-methyloxirane; oxirane; terephthalic acid
SYSTEMATIC NAME: ethane-1,2-diol; 2-(2-hydroxyethyloxy)ethanol; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-oxane-3,4,5-triol; 2-methyloxirane; oxirane; terephthalic acid
MOLECULAR FORMULA: C26H46O17
MOLECULAR WEIGHT: 630.63324
SMILES: CC1CO1.CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O.C1CO1.C1=CC(=CC=C1C(=O)O)C(=O)O.C(CO)O.C(COCCO)O
Structure:
CAS RN: 99766-46-8
CAS Name: 1-ethyl-3-methyl-2-nitrosobenzene
OPENEYE Name: 1-ethyl-3-methyl-2-nitroso-benzene
IUPAC Name: 1-ethyl-3-methyl-2-nitrosobenzene
SYSTEMATIC NAME: 1-ethyl-3-methyl-2-nitroso-benzene
MOLECULAR FORMULA: C9H11NO
MOLECULAR WEIGHT: 149.18974
SMILES: CCC1=CC=CC(=C1N=O)C
Structure:
CAS RN: 99687-00-0
CAS Name: 4-methyl-5-nitro-1-(phenylmethyl)imidazole
OPENEYE Name: 1-benzyl-4-methyl-5-nitro-imidazole
IUPAC Name: 1-benzyl-4-methyl-5-nitroimidazole
SYSTEMATIC NAME: 4-methyl-5-nitro-1-(phenylmethyl)imidazole
MOLECULAR FORMULA: C11H11N3O2
MOLECULAR WEIGHT: 217.22394
SMILES: CC1=C(N(C=N1)CC2=CC=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 99686-99-4
CAS Name: 5-methyl-4-nitro-1-(phenylmethyl)imidazole
OPENEYE Name: 1-benzyl-5-methyl-4-nitro-imidazole
IUPAC Name: 1-benzyl-5-methyl-4-nitroimidazole
SYSTEMATIC NAME: 5-methyl-4-nitro-1-(phenylmethyl)imidazole
MOLECULAR FORMULA: C11H11N3O2
MOLECULAR WEIGHT: 217.22394
SMILES: CC1=C(N=CN1CC2=CC=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 99662-11-0
CAS Name: 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-nitro-3-pyrazolamine
OPENEYE Name: 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-nitro-pyrazol-3-amine
IUPAC Name: 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-nitropyrazol-3-amine
SYSTEMATIC NAME: 2-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-nitro-pyrazol-3-amine
MOLECULAR FORMULA: C10H5Cl2F3N4O2
MOLECULAR WEIGHT: 341.07351
SMILES: C1=C(C=C(C(=C1Cl)N2C(=C(C=N2)[N+](=O)[O-])N)Cl)C(F)(F)F
Structure:
CAS RN: 99664-84-3
CAS Name: 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-nitro-3-pyrazolamine
OPENEYE Name: 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-nitro-pyrazol-3-amine
IUPAC Name: 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-nitropyrazol-3-amine
SYSTEMATIC NAME: 2-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-nitro-pyrazol-3-amine
MOLECULAR FORMULA: C10H5Cl2F3N4O2
MOLECULAR WEIGHT: 341.07351
SMILES: C1=C(C=C(C(=C1Cl)N2C(=C(C=N2)[N+](=O)[O-])N)Cl)C(F)(F)F
Structure:
CAS RN: 99661-82-2
CAS Name: 3,3-bis[[4-(2-carboxypropan-2-yloxy)phenyl]thio]butanoic acid
OPENEYE Name: 3,3-bis[[4-(1-carboxy-1-methyl-ethoxy)phenyl]sulfanyl]butanoic acid
IUPAC Name: 3,3-bis[[4-(2-carboxypropan-2-yloxy)phenyl]sulfanyl]butanoic acid
SYSTEMATIC NAME: 3,3-bis[[4-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyphenyl]sulfanyl]butanoic acid
MOLECULAR FORMULA: C24H28O8S2
MOLECULAR WEIGHT: 508.60432
SMILES: CC(C)(C(=O)O)OC1=CC=C(C=C1)SC(C)(CC(=O)O)SC2=CC=C(C=C2)OC(C)(C)C(=O)O
Structure:
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