CAS RN: 50879-06-6
CAS Name: 2-thietanol
OPENEYE Name: thietan-2-ol
IUPAC Name: thietan-2-ol
SYSTEMATIC NAME: thietan-2-ol
MOLECULAR FORMULA: C3H6OS
MOLECULAR WEIGHT: 90.14414
SMILES: C1CSC1O
Structure:
CAS RN: 50874-24-3
CAS Name: trispiro[2.0.0.2^{5}.1^{4}.1^{3}]nonane
OPENEYE Name: trispiro[2.0.0.2^{5}.1^{4}.1^{3}]nonane
IUPAC Name: trispiro[2.0.0.2^{5}.1^{4}.1^{3}]nonane
SYSTEMATIC NAME: trispiro[2.0.0.2^{5}.1^{4}.1^{3}]nonane
MOLECULAR FORMULA: C9H12
MOLECULAR WEIGHT: 120.19158
SMILES: C1CC12CC23CC34CC4
Structure:
CAS RN: 50861-26-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C7H8
MOLECULAR WEIGHT: 92.13842
SMILES: C1C2C1C3C4C2C34
Structure:
CAS RN: 50843-73-7
CAS Name: 3-methyl-3-phenylpentanenitrile
OPENEYE Name: 3-methyl-3-phenyl-pentanenitrile
IUPAC Name: 3-methyl-3-phenylpentanenitrile
SYSTEMATIC NAME: 3-methyl-3-phenyl-pentanenitrile
MOLECULAR FORMULA: C12H15N
MOLECULAR WEIGHT: 173.2542
SMILES: CCC(C)(CC#N)C1=CC=CC=C1
Structure:
CAS RN: 50838-24-9
CAS Name: 3,4-dihydro-2H-pyridin-1-yl(phenyl)methanone
OPENEYE Name: 3,4-dihydro-2H-pyridin-1-yl(phenyl)methanone
IUPAC Name: 3,4-dihydro-2H-pyridin-1-yl(phenyl)methanone
SYSTEMATIC NAME: 3,4-dihydro-2H-pyridin-1-yl(phenyl)methanone
MOLECULAR FORMULA: C12H13NO
MOLECULAR WEIGHT: 187.23772
SMILES: C1CC=CN(C1)C(=O)C2=CC=CC=C2
Structure:
CAS RN: 50824-05-0
CAS Name: 1-(bromomethyl)-4-(trifluoromethoxy)benzene
OPENEYE Name: 1-(bromomethyl)-4-(trifluoromethoxy)benzene
IUPAC Name: 1-(bromomethyl)-4-(trifluoromethoxy)benzene
SYSTEMATIC NAME: 1-(bromomethyl)-4-(trifluoromethyloxy)benzene
MOLECULAR FORMULA: C8H6BrF3O
MOLECULAR WEIGHT: 255.03185
SMILES: C1=CC(=CC=C1CBr)OC(F)(F)F
Structure:
CAS RN: 50824-04-9
CAS Name: 4-bromo-2-(trifluoromethyl)phenol
OPENEYE Name: 4-bromo-2-(trifluoromethyl)phenol
IUPAC Name: 4-bromo-2-(trifluoromethyl)phenol
SYSTEMATIC NAME: 4-bromanyl-2-(trifluoromethyl)phenol
MOLECULAR FORMULA: C7H4BrF3O
MOLECULAR WEIGHT: 241.00527
SMILES: C1=CC(=C(C=C1Br)C(F)(F)F)O
Structure:
CAS RN: 50823-90-0
CAS Name: [3-(trifluoromethoxy)phenyl]methanol
OPENEYE Name: [3-(trifluoromethoxy)phenyl]methanol
IUPAC Name: [3-(trifluoromethoxy)phenyl]methanol
SYSTEMATIC NAME: [3-(trifluoromethyloxy)phenyl]methanol
MOLECULAR FORMULA: C8H7F3O2
MOLECULAR WEIGHT: 192.13519
SMILES: C1=CC(=CC(=C1)OC(F)(F)F)CO
Structure:
CAS RN: 50787-14-9
CAS Name: 3,4-diethyl-3-heptene
OPENEYE Name: 3,4-diethylhept-3-ene
IUPAC Name: 3,4-diethylhept-3-ene
SYSTEMATIC NAME: 3,4-diethylhept-3-ene
MOLECULAR FORMULA: C11H22
MOLECULAR WEIGHT: 154.29238
SMILES: CCCC(=C(CC)CC)CC
Structure:
CAS RN: 50787-13-8
CAS Name: 3-ethyl-4-methyl-3-hexene
OPENEYE Name: 3-ethyl-4-methyl-hex-3-ene
IUPAC Name: 3-ethyl-4-methylhex-3-ene
SYSTEMATIC NAME: 3-ethyl-4-methyl-hex-3-ene
MOLECULAR FORMULA: C9H18
MOLECULAR WEIGHT: 126.23922
SMILES: CCC(=C(CC)CC)C
Structure:
CAS RN: 2561-25-3
CAS Name: 1-(4-fluorophenoxy)-4-nitrobenzene
OPENEYE Name: 1-(4-fluorophenoxy)-4-nitro-benzene
IUPAC Name: 1-(4-fluorophenoxy)-4-nitrobenzene
SYSTEMATIC NAME: 1-(4-fluoranylphenoxy)-4-nitro-benzene
MOLECULAR FORMULA: C12H8FNO3
MOLECULAR WEIGHT: 233.195223
SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC2=CC=C(C=C2)F
Structure:
CAS RN: 2562-77-8
CAS Name: 2-(4-phenylphenyl)-1H-benzimidazole
OPENEYE Name: 2-(4-phenylphenyl)-1H-benzimidazole
IUPAC Name: 2-(4-phenylphenyl)-1H-benzimidazole
SYSTEMATIC NAME: 2-(4-phenylphenyl)-1H-benzimidazole
MOLECULAR FORMULA: C19H14N2
MOLECULAR WEIGHT: 270.32786
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4N3
Structure:
CAS RN: 2466-14-0
CAS Name: 3-imino-2-methyl-1-indenamine hydrochloride
OPENEYE Name: 3-imino-2-methyl-inden-1-amine hydrochloride
IUPAC Name: 3-imino-2-methylinden-1-amine hydrochloride
SYSTEMATIC NAME: 3-azanylidene-2-methyl-inden-1-amine hydrochloride
MOLECULAR FORMULA: C10H11ClN2
MOLECULAR WEIGHT: 194.66074
SMILES: CC1=C(C2=CC=CC=C2C1=N)N.Cl
Structure:
CAS RN: 2514-83-2
CAS Name: methanesulfonic acid [(2R,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-methylsulfonyloxyhexyl] ester
OPENEYE Name: [(2R,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-methylsulfonyloxy-hexyl] methanesulfonate
IUPAC Name: [(2R,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-methylsulfonyloxyhexyl] methanesulfonate
SYSTEMATIC NAME: [(2R,3R,4R,5R)-6-methylsulfonyloxy-2,3,4,5-tetrakis(oxidanyl)hexyl] methanesulfonate
MOLECULAR FORMULA: C8H18O10S2
MOLECULAR WEIGHT: 338.35252
SMILES: CS(=O)(=O)OC[C@H]([C@H]([C@@H]([C@@H](COS(=O)(=O)C)O)O)O)O
Structure:
CAS RN: 2507-27-9
CAS Name: methanesulfonic acid; methanesulfonic acid 2-[[(2S,3R)-2,3-dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl ester
OPENEYE Name: 2-[[(2S,3R)-2,3-dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl methanesulfonate; methanesulfonic acid
IUPAC Name: 2-[[(2S,3R)-2,3-dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl methanesulfonate; methanesulfonic acid
SYSTEMATIC NAME: methanesulfonic acid; 2-[[(2S,3R)-4-(2-methylsulfonyloxyethylamino)-2,3-bis(oxidanyl)butyl]amino]ethyl methanesulfonate
MOLECULAR FORMULA: C12H32N2O14S4
MOLECULAR WEIGHT: 556.64748
SMILES: CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)OCCNC[C@H]([C@H](CNCCOS(=O)(=O)C)O)O
Structure:
CAS RN: 2486-94-4
CAS Name: 1-[1-aziridinyl(propoxy)phosphoryl]aziridine
OPENEYE Name: 1-[aziridin-1-yl(propoxy)phosphoryl]aziridine
IUPAC Name: 1-[aziridin-1-yl(propoxy)phosphoryl]aziridine
SYSTEMATIC NAME: 1-[aziridin-1-yl(propoxy)phosphoryl]aziridine
MOLECULAR FORMULA: C7H15N2O2P
MOLECULAR WEIGHT: 190.179961
SMILES: CCCOP(=O)(N1CC1)N2CC2
Structure:
CAS RN: 5561-99-9
CAS Name: 11-eicosenoic acid
OPENEYE Name: icos-11-enoic acid
IUPAC Name: icos-11-enoic acid
SYSTEMATIC NAME: icos-11-enoic acid
MOLECULAR FORMULA: C20H38O2
MOLECULAR WEIGHT: 310.51452
SMILES: CCCCCCCCC=CCCCCCCCCCC(=O)O
Structure:
CAS RN: 2453-96-5
CAS Name: 2-(4-chloro-2-methylphenoxy)-N-(2-chlorophenyl)acetamide
OPENEYE Name: 2-(4-chloro-2-methyl-phenoxy)-N-(2-chlorophenyl)acetamide
IUPAC Name: 2-(4-chloro-2-methylphenoxy)-N-(2-chlorophenyl)acetamide
SYSTEMATIC NAME: 2-(4-chloranyl-2-methyl-phenoxy)-N-(2-chlorophenyl)ethanamide
MOLECULAR FORMULA: C15H13Cl2NO2
MOLECULAR WEIGHT: 310.17522
SMILES: CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC=CC=C2Cl
Structure:
CAS RN: 2445-80-9
CAS Name: 7,8-dimethoxy-1-benzopyran-2-one
OPENEYE Name: 7,8-dimethoxychromen-2-one
IUPAC Name: 7,8-dimethoxychromen-2-one
SYSTEMATIC NAME: 7,8-dimethoxychromen-2-one
MOLECULAR FORMULA: C11H10O4
MOLECULAR WEIGHT: 206.1947
SMILES: COC1=C(C2=C(C=C1)C=CC(=O)O2)OC
Structure:
CAS RN: 2443-30-3
CAS Name: (2S)-4-hydroxy-1-nitroso-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-4-hydroxy-1-nitroso-pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-4-hydroxy-1-nitrosopyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-nitroso-4-oxidanyl-pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C5H8N2O4
MOLECULAR WEIGHT: 160.12802
SMILES: C1[C@H](N(CC1O)N=O)C(=O)O
Structure:
CAS RN: 2439-07-8
CAS Name: 2-hydroxybenzoic acid; 8-quinolinol
OPENEYE Name: 2-hydroxybenzoic acid; quinolin-8-ol
IUPAC Name: 2-hydroxybenzoic acid; quinolin-8-ol
SYSTEMATIC NAME: 2-oxidanylbenzoic acid; quinolin-8-ol
MOLECULAR FORMULA: C16H13NO4
MOLECULAR WEIGHT: 283.27872
SMILES: C1=CC=C(C(=C1)C(=O)O)O.C1=CC2=C(C(=C1)O)N=CC=C2
Structure:
CAS RN: 2418-67-9
CAS Name: 2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]acetic acid
OPENEYE Name: 2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]acetic acid
IUPAC Name: 2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoic acid
MOLECULAR FORMULA: C8H17N5O3
MOLECULAR WEIGHT: 231.25228
SMILES: C(C[C@@H](C(=O)NCC(=O)O)N)CN=C(N)N
Structure:
CAS RN: 2403-01-2
CAS Name: 3-nitro-1-oxidopyridin-1-ium
OPENEYE Name: 3-nitro-1-oxido-pyridin-1-ium
IUPAC Name: 3-nitro-1-oxidopyridin-1-ium
SYSTEMATIC NAME: 3-nitro-1-oxidanidyl-pyridin-1-ium
MOLECULAR FORMULA: C5H4N2O3
MOLECULAR WEIGHT: 140.09686
SMILES: C1=CC(=C[N+](=C1)[O-])[N+](=O)[O-]
Structure:
CAS RN: 2402-97-3
CAS Name: 3-bromo-1-oxidopyridin-1-ium
OPENEYE Name: 3-bromo-1-oxido-pyridin-1-ium
IUPAC Name: 3-bromo-1-oxidopyridin-1-ium
SYSTEMATIC NAME: 3-bromanyl-1-oxidanidyl-pyridin-1-ium
MOLECULAR FORMULA: C5H4BrNO
MOLECULAR WEIGHT: 173.99536
SMILES: C1=CC(=C[N+](=C1)[O-])Br
Structure:
CAS RN: 2376-43-4
CAS Name: hexanoic acid 2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-1-piperazinyl]ethyl ester
OPENEYE Name: 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl hexanoate
IUPAC Name: 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl hexanoate
SYSTEMATIC NAME: 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl hexanoate
MOLECULAR FORMULA: C28H36F3N3O2S
MOLECULAR WEIGHT: 535.66455
SMILES: CCCCCC(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F
Structure:
CAS RN: 2374-69-8
CAS Name: 1-butanesulfonic acid
OPENEYE Name: methyl butane-1-sulfonate
IUPAC Name: methyl butane-1-sulfonate
SYSTEMATIC NAME: methyl butane-1-sulfonate
MOLECULAR FORMULA: C5H12O3S
MOLECULAR WEIGHT: 152.21198
SMILES: CCCCS(=O)(=O)OC
Structure:
CAS RN: 2397-76-4
CAS Name: 2-methyl-2-propenoic acid 2,2-dimethylpropyl ester
OPENEYE Name: 2,2-dimethylpropyl 2-methylprop-2-enoate
IUPAC Name: 2,2-dimethylpropyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2,2-dimethylpropyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C9H16O2
MOLECULAR WEIGHT: 156.22214
SMILES: CC(=C)C(=O)OCC(C)(C)C
Structure:
CAS RN: 2374-68-7
CAS Name: 1-butanesulfonic acid
OPENEYE Name: ethyl butane-1-sulfonate
IUPAC Name: ethyl butane-1-sulfonate
SYSTEMATIC NAME: ethyl butane-1-sulfonate
MOLECULAR FORMULA: C6H14O3S
MOLECULAR WEIGHT: 166.23856
SMILES: CCCCS(=O)(=O)OCC
Structure:
CAS RN: 2363-87-3
CAS Name: 2-oxononanal
OPENEYE Name: 2-oxononanal
IUPAC Name: 2-oxononanal
SYSTEMATIC NAME: 2-oxidanylidenenonanal
MOLECULAR FORMULA: C9H16O2
MOLECULAR WEIGHT: 156.22214
SMILES: CCCCCCCC(=O)C=O
Structure:
CAS RN: 2363-86-2
CAS Name: 2-oxooctanal
OPENEYE Name: 2-oxooctanal
IUPAC Name: 2-oxooctanal
SYSTEMATIC NAME: 2-oxidanylideneoctanal
MOLECULAR FORMULA: C8H14O2
MOLECULAR WEIGHT: 142.19556
SMILES: CCCCCCC(=O)C=O
Structure:
CAS RN: 2363-84-0
CAS Name: 2-oxohexanal
OPENEYE Name: 2-oxohexanal
IUPAC Name: 2-oxohexanal
SYSTEMATIC NAME: 2-oxidanylidenehexanal
MOLECULAR FORMULA: C6H10O2
MOLECULAR WEIGHT: 114.1424
SMILES: CCCCC(=O)C=O
Structure:
CAS RN: 2346-72-7
CAS Name: 1-(1,2-dihydroacenaphthylen-5-yl)ethanol
OPENEYE Name: 1-(1,2-dihydroacenaphthylen-5-yl)ethanol
IUPAC Name: 1-(1,2-dihydroacenaphthylen-5-yl)ethanol
SYSTEMATIC NAME: 1-(1,2-dihydroacenaphthylen-5-yl)ethanol
MOLECULAR FORMULA: C14H14O
MOLECULAR WEIGHT: 198.26036
SMILES: CC(C1=C2C=CC=C3C2=C(CC3)C=C1)O
Structure:
CAS RN: 2275-42-5
CAS Name: 1-[1-aziridinyl(butyl)phosphoryl]aziridine
OPENEYE Name: 1-[aziridin-1-yl(butyl)phosphoryl]aziridine
IUPAC Name: 1-[aziridin-1-yl(butyl)phosphoryl]aziridine
SYSTEMATIC NAME: 1-[aziridin-1-yl(butyl)phosphoryl]aziridine
MOLECULAR FORMULA: C8H17N2OP
MOLECULAR WEIGHT: 188.207141
SMILES: CCCCP(=O)(N1CC1)N2CC2
Structure:
No comments:
Post a Comment