Wednesday, October 31, 2012

http://ChemLookup.com Compounds




CAS RN: 5979-11-3
CAS Name: acetic acid; 2-[[2-[[[1-[2-[[2-[[2-[[[1-[[1-[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-hydroxy-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]
OPENEYE Name: acetic acid; 2-[[2-[[1-[2-[[2-[[2-[[1-[1-(2-amino-5-guanidino-pentanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]-5-guanidino-pen
IUPAC Name: acetic acid; 2-[[2-[[1-[2-[[2-[[2-[[1-[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(
SYSTEMATIC NAME: 2-[[2-[[1-[2-[[2-[2-[[1-[1-[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-5-[b
MOLECULAR FORMULA: C56H85N15O17
MOLECULAR WEIGHT: 1240.3644
SMILES: CC(=O)O.CC(=O)O.CC(=O)O.C1CC(N(C1)C(=O)C2CCCN2C(=O)C(CCCN=C(N)N)N)C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)NC(CO)C(=O)N4CCCC4C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CCCN=C(N)N)C(=O)O
Structure:

CAS RN: 6625-94-1
CAS Name: (3S,6aR,6aR,6bR,8aR,14aR,14bR)-3-methoxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene
OPENEYE Name: (3S,6aR,6aR,6bR,8aR,14aR,14bR)-3-methoxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene
IUPAC Name: (3S,6aR,6aR,6bR,8aR,14aR,14bR)-3-methoxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene
SYSTEMATIC NAME: (3S,6aR,6aR,6bR,8aR,14aR,14bR)-3-methoxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene
MOLECULAR FORMULA: C31H54O
MOLECULAR WEIGHT: 442.75986
SMILES: C[C@@]12CC[C@@]3([C@@H](C1CC(CC2)(C)C)CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)OC)C)C)C
Structure:

CAS RN: 5934-29-2
CAS Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid hydrate hydrochloride
OPENEYE Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid hydrate hydrochloride
IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid hydrate hydrochloride
SYSTEMATIC NAME: (2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoic acid hydrate hydrochloride
MOLECULAR FORMULA: C6H12ClN3O3
MOLECULAR WEIGHT: 209.63078
SMILES: C1=C(NC=N1)C[C@@H](C(=O)O)N.O.Cl
Structure:

CAS RN: 7048-02-4
CAS Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid hydrate hydrochloride
OPENEYE Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid hydrate hydrochloride
IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid hydrate hydrochloride
SYSTEMATIC NAME: (2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoic acid hydrate hydrochloride
MOLECULAR FORMULA: C6H12ClN3O3
MOLECULAR WEIGHT: 209.63078
SMILES: C1=C(NC=N1)C[C@@H](C(=O)O)N.O.Cl
Structure:

CAS RN: 5895-53-4
CAS Name: lutetium(3+) tricarbonate
OPENEYE Name: lutetium(3+) tricarbonate
IUPAC Name: lutetium(3+) tricarbonate
SYSTEMATIC NAME: lutetium(3+) tricarbonate
MOLECULAR FORMULA: C3Lu2O9
MOLECULAR WEIGHT: 529.9607
SMILES: C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].[Lu+3].[Lu+3]
Structure:

CAS RN: 52275-84-0
CAS Name: holmium(3+) tricarbonate
OPENEYE Name: holmium(3+) tricarbonate
IUPAC Name: holmium(3+) tricarbonate
SYSTEMATIC NAME: holmium(3+) tricarbonate
MOLECULAR FORMULA: C3Ho2O9
MOLECULAR WEIGHT: 509.88734
SMILES: C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].[Ho+3].[Ho+3]
Structure:

CAS RN: 5895-49-8
CAS Name: gadolinium(3+) tricarbonate
OPENEYE Name: gadolinium(3+) tricarbonate
IUPAC Name: gadolinium(3+) tricarbonate
SYSTEMATIC NAME: gadolinium(3+) tricarbonate
MOLECULAR FORMULA: C3Gd2O9
MOLECULAR WEIGHT: 494.5267
SMILES: C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].[Gd+3].[Gd+3]
Structure:

CAS RN: 5876-17-5
CAS Name: 4,8-dimethoxy-9H-furo[2,3-b]quinolin-7-one
OPENEYE Name: 4,8-dimethoxy-9H-furo[2,3-b]quinolin-7-one
IUPAC Name: 4,8-dimethoxy-9H-furo[2,3-b]quinolin-7-one
SYSTEMATIC NAME: 4,8-dimethoxy-9H-furo[2,3-b]quinolin-7-one
MOLECULAR FORMULA: C13H11NO4
MOLECULAR WEIGHT: 245.23074
SMILES: COC1=C2C=CC(=O)C(=C2NC3=C1C=CO3)OC
Structure:

CAS RN: 65132-26-5
CAS Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-(ethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(3R)-4-[[3-(ethylamino)-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butyl] hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-(ethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-4-[[3-(ethylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
MOLECULAR FORMULA: C21H36N7O16P3
MOLECULAR WEIGHT: 735.469123
SMILES: CCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O
Structure:

CAS RN: 64977-02-2
CAS Name: (3S,6S)-3,6-dimethylpiperazine-2,5-dione
OPENEYE Name: (3S,6S)-3,6-dimethylpiperazine-2,5-dione
IUPAC Name: (3S,6S)-3,6-dimethylpiperazine-2,5-dione
SYSTEMATIC NAME: (3S,6S)-3,6-dimethylpiperazine-2,5-dione
MOLECULAR FORMULA: C6H10N2O2
MOLECULAR WEIGHT: 142.1558
SMILES: C[C@H]1C(=O)N[C@H](C(=O)N1)C
Structure:

CAS RN: 5798-41-4
CAS Name: bismuth; potassium; 2,3-dihydroxybutanedioate; (2R,3R)-2,3-dihydroxybutanedioate
OPENEYE Name: bismuth; potassium; 2,3-dihydroxybutanedioate; (2R,3R)-2,3-dihydroxybutanedioate
IUPAC Name: bismuth; potassium; 2,3-dihydroxybutanedioate; (2R,3R)-2,3-dihydroxybutanedioate
SYSTEMATIC NAME: bismuth; potassium; 2,3-bis(oxidanyl)butanedioate; (2R,3R)-2,3-bis(oxidanyl)butanedioate
MOLECULAR FORMULA: C8H8BiKO12
MOLECULAR WEIGHT: 544.2206
SMILES: [C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O.C(C(C(=O)[O-])O)(C(=O)[O-])O.[K+].[Bi+3]
Structure:

CAS RN: 5772-74-7
CAS Name: europium(2+) carbonate
OPENEYE Name: europium(2+) carbonate
IUPAC Name: europium(2+) carbonate
SYSTEMATIC NAME: europium(2+) carbonate
MOLECULAR FORMULA: CEuO3
MOLECULAR WEIGHT: 211.9729
SMILES: C(=O)([O-])[O-].[Eu+2]
Structure:

CAS RN: 63715-95-7
CAS Name: N-(4-chlorophenyl)azo-N-methylhydroxylamine
OPENEYE Name: N-(4-chlorophenyl)azo-N-methyl-hydroxylamine
IUPAC Name: N-[(4-chlorophenyl)diazenyl]-N-methylhydroxylamine
SYSTEMATIC NAME: N-[(4-chlorophenyl)diazenyl]-N-methyl-hydroxylamine
MOLECULAR FORMULA: C7H8ClN3O
MOLECULAR WEIGHT: 185.61092
SMILES: CN(N=NC1=CC=C(C=C1)Cl)O
Structure:

CAS RN: 5743-47-5
CAS Name: calcium 2-hydroxypropanoate pentahydrate
OPENEYE Name: calcium 2-hydroxypropanoate pentahydrate
IUPAC Name: calcium 2-hydroxypropanoate pentahydrate
SYSTEMATIC NAME: calcium 2-oxidanylpropanoate pentahydrate
MOLECULAR FORMULA: C6H20CaO11
MOLECULAR WEIGHT: 308.2944
SMILES: CC(C(=O)[O-])O.CC(C(=O)[O-])O.O.O.O.O.O.[Ca+2]
Structure:

CAS RN: 130869-56-6
CAS Name: magnesium 2-propenoate
OPENEYE Name: magnesium prop-2-enoate
IUPAC Name: magnesium prop-2-enoate
SYSTEMATIC NAME: magnesium prop-2-enoate
MOLECULAR FORMULA: C6H6MgO4
MOLECULAR WEIGHT: 166.41444
SMILES: C=CC(=O)[O-].C=CC(=O)[O-].[Mg+2]
Structure:

CAS RN: 142605-03-6
CAS Name: magnesium 2-propenoate
OPENEYE Name: magnesium prop-2-enoate
IUPAC Name: magnesium prop-2-enoate
SYSTEMATIC NAME: magnesium prop-2-enoate
MOLECULAR FORMULA: C6H6MgO4
MOLECULAR WEIGHT: 166.41444
SMILES: C=CC(=O)[O-].C=CC(=O)[O-].[Mg+2]
Structure:

CAS RN: 148337-64-8
CAS Name: magnesium 2-propenoate
OPENEYE Name: magnesium prop-2-enoate
IUPAC Name: magnesium prop-2-enoate
SYSTEMATIC NAME: magnesium prop-2-enoate
MOLECULAR FORMULA: C6H6MgO4
MOLECULAR WEIGHT: 166.41444
SMILES: C=CC(=O)[O-].C=CC(=O)[O-].[Mg+2]
Structure:

CAS RN: 5698-98-6
CAS Name: magnesium 2-propenoate
OPENEYE Name: magnesium prop-2-enoate
IUPAC Name: magnesium prop-2-enoate
SYSTEMATIC NAME: magnesium prop-2-enoate
MOLECULAR FORMULA: C6H6MgO4
MOLECULAR WEIGHT: 166.41444
SMILES: C=CC(=O)[O-].C=CC(=O)[O-].[Mg+2]
Structure:

CAS RN: 72213-53-7
CAS Name: magnesium 2-propenoate
OPENEYE Name: magnesium prop-2-enoate
IUPAC Name: magnesium prop-2-enoate
SYSTEMATIC NAME: magnesium prop-2-enoate
MOLECULAR FORMULA: C6H6MgO4
MOLECULAR WEIGHT: 166.41444
SMILES: C=CC(=O)[O-].C=CC(=O)[O-].[Mg+2]
Structure:

CAS RN: 5696-92-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H8Cl12
MOLECULAR WEIGHT: 673.71352
SMILES: C1=CC=C2C3C(C4C(C2=C1)C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6(C(=C(C3(C6(Cl)Cl)Cl)Cl)Cl)Cl
Structure:

CAS RN: 63589-93-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H8Cl12
MOLECULAR WEIGHT: 673.71352
SMILES: C1=CC=C2C3C(C4C(C2=C1)C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6(C(=C(C3(C6(Cl)Cl)Cl)Cl)Cl)Cl
Structure:

CAS RN: 130814-43-6
CAS Name: 4-(4-amino-2-sulfophenyl)azo-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
OPENEYE Name: 4-(4-amino-2-sulfo-phenyl)azo-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
IUPAC Name: 4-[(4-amino-2-sulfophenyl)diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
SYSTEMATIC NAME: 4-[(4-azanyl-2-sulfo-phenyl)diazenyl]-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
MOLECULAR FORMULA: C16H13N5O9S2
MOLECULAR WEIGHT: 483.43252
SMILES: C1=CC(=CC=C1N2C(=O)C(C(=N2)C(=O)O)N=NC3=C(C=C(C=C3)N)S(=O)(=O)O)S(=O)(=O)O
Structure:

CAS RN: 24685-83-4
CAS Name: 4-(4-amino-2-sulfophenyl)azo-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
OPENEYE Name: 4-(4-amino-2-sulfo-phenyl)azo-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
IUPAC Name: 4-[(4-amino-2-sulfophenyl)diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
SYSTEMATIC NAME: 4-[(4-azanyl-2-sulfo-phenyl)diazenyl]-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
MOLECULAR FORMULA: C16H13N5O9S2
MOLECULAR WEIGHT: 483.43252
SMILES: C1=CC(=CC=C1N2C(=O)C(C(=N2)C(=O)O)N=NC3=C(C=C(C=C3)N)S(=O)(=O)O)S(=O)(=O)O
Structure:

CAS RN: 5652-32-4
CAS Name: (2R)-2-amino-3-(disulfanyl)propanoic acid
OPENEYE Name: (2R)-2-amino-3-(disulfanyl)propanoic acid
IUPAC Name: (2R)-2-amino-3-(disulfanyl)propanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-(disulfanyl)propanoic acid
MOLECULAR FORMULA: C3H7NO2S2
MOLECULAR WEIGHT: 153.22318
SMILES: C([C@@H](C(=O)O)N)SS
Structure:

CAS RN: 6344-16-7
CAS Name: (1S)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
OPENEYE Name: (1S)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
IUPAC Name: (1S)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
SYSTEMATIC NAME: (1S)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
MOLECULAR FORMULA: C29H37N3O3
MOLECULAR WEIGHT: 475.62238
SMILES: CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@H]4C5=C(CCN4)C6=C(N5)C=CC(=C6)O)OC)OC
Structure:

CAS RN: 6338-85-8
CAS Name: 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide
OPENEYE Name: 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide
IUPAC Name: 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide
SYSTEMATIC NAME: 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide
MOLECULAR FORMULA: C8H6ClN3O2S2
MOLECULAR WEIGHT: 275.73514
SMILES: C1=CC=C(C(=C1)C2=NN=C(S2)S(=O)(=O)N)Cl
Structure:

CAS RN: 5471-76-1
CAS Name: 2-amino-4-chlorophenol hydrochloride
OPENEYE Name: 2-amino-4-chloro-phenol hydrochloride
IUPAC Name: 2-amino-4-chlorophenol hydrochloride
SYSTEMATIC NAME: 2-azanyl-4-chloranyl-phenol hydrochloride
MOLECULAR FORMULA: C6H7Cl2NO
MOLECULAR WEIGHT: 180.03188
SMILES: C1=CC(=C(C=C1Cl)N)O.Cl
Structure:

CAS RN: 5423-61-0
CAS Name: 3-[4-(3-aminopropyl)-1-piperazinyl]-1-propanamine; hexanedioic acid
OPENEYE Name: adipic acid; 3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine
IUPAC Name: 3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine; hexanedioic acid
SYSTEMATIC NAME: 3-[4-(3-azanylpropyl)piperazin-1-yl]propan-1-amine; hexanedioic acid
MOLECULAR FORMULA: C16H34N4O4
MOLECULAR WEIGHT: 346.46556
SMILES: C1CN(CCN1CCCN)CCCN.C(CCC(=O)O)CC(=O)O
Structure:

CAS RN: 60175-48-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H32O3
MOLECULAR WEIGHT: 332.47698
SMILES: C[C@H]1[C@H]2CC[C@@H]3C24C[C@H]([C@H]5[C@H]3CC[C@H]6[C@@]5(CC[C@H](C6)O)C)OC4O1
Structure:

CAS RN: 14599-52-1
CAS Name: N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide
OPENEYE Name: N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-nitro-terephthalamide
IUPAC Name: 1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide
SYSTEMATIC NAME: N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-nitro-benzene-1,4-dicarboxamide
MOLECULAR FORMULA: C26H23N7O4
MOLECULAR WEIGHT: 497.50532
SMILES: C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=NCCN5)[N+](=O)[O-]
Structure:

CAS RN: 5318-78-5
CAS Name: N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide dihydrochloride
OPENEYE Name: N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-nitro-terephthalamide dihydrochloride
IUPAC Name: 1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide dihydrochloride
SYSTEMATIC NAME: N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-nitro-benzene-1,4-dicarboxamide dihydrochloride
MOLECULAR FORMULA: C26H25Cl2N7O4
MOLECULAR WEIGHT: 570.4272
SMILES: C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=NCCN5)[N+](=O)[O-].Cl.Cl
Structure:

CAS RN: 56709-05-8
CAS Name: 2-(2-hydroxyethylamino)-2-oxoacetic acid
OPENEYE Name: 2-(2-hydroxyethylamino)-2-oxo-acetic acid
IUPAC Name: 2-(2-hydroxyethylamino)-2-oxoacetic acid
SYSTEMATIC NAME: 2-(2-hydroxyethylamino)-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C4H7NO4
MOLECULAR WEIGHT: 133.10268
SMILES: C(CO)NC(=O)C(=O)O
Structure:

CAS RN: 56632-37-2
CAS Name: phosphoric acid bis(2-chloroethyl) 2,2-dichloroethenyl ester
OPENEYE Name: bis(2-chloroethyl) 2,2-dichlorovinyl phosphate
IUPAC Name: bis(2-chloroethyl) 2,2-dichloroethenyl phosphate
SYSTEMATIC NAME: 2,2-bis(chloranyl)ethenyl bis(2-chloroethyl) phosphate
MOLECULAR FORMULA: C6H9Cl4O4P
MOLECULAR WEIGHT: 317.919021
SMILES: C(CCl)OP(=O)(OCCCl)OC=C(Cl)Cl
Structure:

CAS RN: 5204-74-0
CAS Name: acetic acid; N,N-diethylethanamine
OPENEYE Name: acetic acid; N,N-diethylethanamine
IUPAC Name: acetic acid; N,N-diethylethanamine
SYSTEMATIC NAME: N,N-diethylethanamine; ethanoic acid
MOLECULAR FORMULA: C8H19NO2
MOLECULAR WEIGHT: 161.24196
SMILES: CCN(CC)CC.CC(=O)O
Structure:

CAS RN: 138513-60-7
CAS Name: acetic acid; pyridine
OPENEYE Name: acetic acid; pyridine
IUPAC Name: acetic acid; pyridine
SYSTEMATIC NAME: ethanoic acid; pyridine
MOLECULAR FORMULA: C7H9NO2
MOLECULAR WEIGHT: 139.15186
SMILES: CC(=O)O.C1=CC=NC=C1
Structure:

CAS RN: 5140-42-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H41NO7
MOLECULAR WEIGHT: 467.59554
SMILES: CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6O)OC)O)O)OC)OC)COC
Structure:

CAS RN: 5008-52-6
CAS Name:
OPENEYE Name:
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MOLECULAR FORMULA: C22H33NO3
MOLECULAR WEIGHT: 359.50232
SMILES: CCN1C[C@@]2(CC[C@@H](C34[C@@H]2CC(C31)C56[C@H]4C[C@@H]([C@H](C5)C(=C)[C@H]6O)O)O)C
Structure:

CAS RN: 4959-88-0
CAS Name: 7-methoxy-2-methyl-6'-methylene-6-spiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]ol
OPENEYE Name: 7-methoxy-2-methyl-6'-methylene-spiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]-6-ol
IUPAC Name: 7-methoxy-2-methyl-6'-methylidenespiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]-6-ol
SYSTEMATIC NAME: 7-methoxy-2-methyl-6'-methylidene-spiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]-6-ol
MOLECULAR FORMULA: C21H21NO4
MOLECULAR WEIGHT: 351.39574
SMILES: CN1CCC2=CC(=C(C=C2C13CC4=C(C3=C)C=CC5=C4OCO5)OC)O
Structure:

CAS RN: 5444-99-5
CAS Name: (8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,10R,11S,13S,14S,17S)-13-methyl-11-oxidanyl-17-(2-oxidanylethanoyl)-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C20H28O4
MOLECULAR WEIGHT: 332.43392
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@H]34)O
Structure:

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