CAS RN: 68958-94-1
CAS Name: ammonia; ruthenium(3+); dichloride; hydroxide
OPENEYE Name: ammonia; ruthenium(3+); dichloride; hydroxide
IUPAC Name: azane; ruthenium(3+); dichloride; hydroxide
SYSTEMATIC NAME: azane; ruthenium(3+); dichloride; hydroxide
MOLECULAR FORMULA: Cl2H13N4ORu
MOLECULAR WEIGHT: 257.10542
SMILES: N.N.N.N.[OH-].[Cl-].[Cl-].[Ru+3]
Structure:
CAS RN: 57017-78-4
CAS Name: 6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide; 3,5-diamino-6-chloro-N-(diaminomethylidene)-2-pyrazinecarboxamide; hydrochloride
OPENEYE Name: 6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide; 3,5-diamino-6-chloro-N-(diaminomethylene)pyrazine-2-carboxamide; hydrochloride
IUPAC Name: 6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide; 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide; hydrochloride
SYSTEMATIC NAME: 3,5-bis(azanyl)-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide; 6-chloranyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide; hydrochloride
MOLECULAR FORMULA: C13H17Cl3N10O5S2
MOLECULAR WEIGHT: 563.82708
SMILES: C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl.C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N.Cl
Structure:
CAS RN: 56997-75-2
CAS Name: 2-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
OPENEYE Name: 2-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
IUPAC Name: 2-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SYSTEMATIC NAME: 2-bromanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamide
MOLECULAR FORMULA: C12H16BrNO3
MOLECULAR WEIGHT: 302.16434
SMILES: COC1=C(C=C(C=C1)CCNC(=O)CBr)OC
Structure:
CAS RN: 56979-35-2
CAS Name: N-[(2S)-1-[[(2S)-4-chloro-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[(1S)-1-[[(1S)-3-chloro-1-[(4-hydroxyphenyl)methyl]-2-oxo-propyl]carbamoyl]-3-methyl-butyl]carbamate
IUPAC Name: benzyl N-[(2S)-1-[[(2S)-4-chloro-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2S)-1-[[(2S)-4-chloranyl-1-(4-hydroxyphenyl)-3-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
MOLECULAR FORMULA: C24H29ClN2O5
MOLECULAR WEIGHT: 460.95046
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)CCl)NC(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 56973-12-7
CAS Name: (2R,3R,4S,5R)-2-(6-amino-8-methyl-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: (2R,3R,4S,5R)-2-(6-amino-8-methyl-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (2R,3R,4S,5R)-2-(6-amino-8-methylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3R,4S,5R)-2-(6-azanyl-8-methyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C11H15N5O4
MOLECULAR WEIGHT: 281.2679
SMILES: CC1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CN=C2N
Structure:
CAS RN: 56959-18-3
CAS Name: 2-(chloromethyl)oxirane; iron(3+); (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid; (2S,3R,4S,5R)-4,5,6-trihydroxyhexane-1,2,3-triolate
OPENEYE Name: ferric; 2-(chloromethyl)oxirane; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid; (2S,3R,4S,5R)-4,5,6-trihydroxyhexane-1,2,3-triolate
IUPAC Name: 2-(chloromethyl)oxirane; iron(3+); (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid; (2S,3R,4S,5R)-4,5,6-trihydroxyhexane-1,2,3-triolate
SYSTEMATIC NAME: 2-(chloromethyl)oxirane; iron(3+); (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoic acid; (2S,3R,4S,5R)-4,5,6-tris(oxidanyl)hexane-1,2,3-triolate
MOLECULAR FORMULA: C15H28ClFeO14
MOLECULAR WEIGHT: 523.67242
SMILES: C1C(O1)CCl.C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C[O-])[O-])[O-])O)O)O.[Fe+3]
Structure:
CAS RN: 156683-55-5
CAS Name: potassium 2-ethyl-N-phenylhexanamide
OPENEYE Name: potassium 2-ethyl-N-phenyl-hexanamide
IUPAC Name: potassium 2-ethyl-N-phenylhexanamide
SYSTEMATIC NAME: potassium 2-ethyl-N-phenyl-hexanamide
MOLECULAR FORMULA: C14H21KNO+
MOLECULAR WEIGHT: 258.42094
SMILES: CCCCC(CC)C(=O)NC1=CC=CC=C1.[K+]
Structure:
CAS RN: 56935-95-6
CAS Name: potassium 2-ethyl-N-phenylhexanamide
OPENEYE Name: potassium 2-ethyl-N-phenyl-hexanamide
IUPAC Name: potassium 2-ethyl-N-phenylhexanamide
SYSTEMATIC NAME: potassium 2-ethyl-N-phenyl-hexanamide
MOLECULAR FORMULA: C14H21KNO+
MOLECULAR WEIGHT: 258.42094
SMILES: CCCCC(CC)C(=O)NC1=CC=CC=C1.[K+]
Structure:
CAS RN: 56902-79-5
CAS Name: zinc; dioxido(oxo)silane; zirconium(4+)
OPENEYE Name: zinc; dioxido(oxo)silane; zirconium(4+)
IUPAC Name: zinc; dioxido(oxo)silane; zirconium(4+)
SYSTEMATIC NAME: zinc; bis(oxidanidyl)-oxidanylidene-silane; zirconium(4+)
MOLECULAR FORMULA: O9Si3ZnZr
MOLECULAR WEIGHT: 384.8841
SMILES: [O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[Zn+2].[Zr+4]
Structure:
CAS RN: 58-85-5
CAS Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
OPENEYE Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
SYSTEMATIC NAME: 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
MOLECULAR FORMULA: C10H16N2O3S
MOLECULAR WEIGHT: 244.31064
SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2
Structure:
CAS RN: 15720-24-8
CAS Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
OPENEYE Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
SYSTEMATIC NAME: 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
MOLECULAR FORMULA: C10H16N2O3S
MOLECULAR WEIGHT: 244.31064
SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2
Structure:
CAS RN: 22879-79-4
CAS Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
OPENEYE Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
SYSTEMATIC NAME: 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
MOLECULAR FORMULA: C10H16N2O3S
MOLECULAR WEIGHT: 244.31064
SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2
Structure:
CAS RN: 3672-05-7
CAS Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
OPENEYE Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
SYSTEMATIC NAME: 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
MOLECULAR FORMULA: C10H16N2O3S
MOLECULAR WEIGHT: 244.31064
SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2
Structure:
CAS RN: 56846-45-8
CAS Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
OPENEYE Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
SYSTEMATIC NAME: 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
MOLECULAR FORMULA: C10H16N2O3S
MOLECULAR WEIGHT: 244.31064
SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2
Structure:
CAS RN: 56842-75-2
CAS Name: 2-oxo-3-butynoic acid
OPENEYE Name: 2-oxobut-3-ynoic acid
IUPAC Name: 2-oxobut-3-ynoic acid
SYSTEMATIC NAME: 2-oxidanylidenebut-3-ynoic acid
MOLECULAR FORMULA: C4H2O3
MOLECULAR WEIGHT: 98.05688
SMILES: C#CC(=O)C(=O)O
Structure:
CAS RN: 56815-45-3
CAS Name: butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
OPENEYE Name: adipic acid; butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
IUPAC Name: butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
SYSTEMATIC NAME: butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
MOLECULAR FORMULA: C30H42N2O10
MOLECULAR WEIGHT: 590.66188
SMILES: CC(C)(CO)CO.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O.C(CCO)CO
Structure:
CAS RN: 56802-53-0
CAS Name: lanthanum; oxygen(2-); sulfide
OPENEYE Name: lanthanum; oxygen(2-); sulfide
IUPAC Name: lanthanum; oxygen(2-); sulfide
SYSTEMATIC NAME: lanthanum; oxygen(2-); sulfide
MOLECULAR FORMULA: LaOS-4
MOLECULAR WEIGHT: 186.9699
SMILES: [O-2].[S-2].[La]
Structure:
CAS RN: 56776-32-0
CAS Name: 6-chloro-N-ethyl-4-methyl-4-phenyl-3,1-benzoxazin-2-amine hydrochloride
OPENEYE Name: 6-chloro-N-ethyl-4-methyl-4-phenyl-3,1-benzoxazin-2-amine hydrochloride
IUPAC Name: 6-chloro-N-ethyl-4-methyl-4-phenyl-3,1-benzoxazin-2-amine hydrochloride
SYSTEMATIC NAME: 6-chloranyl-N-ethyl-4-methyl-4-phenyl-3,1-benzoxazin-2-amine hydrochloride
MOLECULAR FORMULA: C17H18Cl2N2O
MOLECULAR WEIGHT: 337.24362
SMILES: CCNC1=NC2=C(C=C(C=C2)Cl)C(O1)(C)C3=CC=CC=C3.Cl
Structure:
CAS RN: 56774-61-9
CAS Name: acetic acid [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[[(2R,4S,5S,6S)-4-methoxy-6-methyl-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tet
OPENEYE Name: [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6S)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16
IUPAC Name: [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6S)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclo
SYSTEMATIC NAME: [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-[(2R,4S,5S,6S)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tet
MOLECULAR FORMULA: C38H58O14
MOLECULAR WEIGHT: 738.85872
SMILES: C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
Structure:
CAS RN: 56767-30-7
CAS Name: (2S)-6-amino-2-[[(2S)-2-[[[(2S)-1-[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]hexanoic acid
OPENEYE Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxy-butanoyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoyl]amino]hexanoic acid
IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid
SYSTEMATIC NAME: (2S)-6-azanyl-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoic acid
MOLECULAR FORMULA: C21H40N8O6
MOLECULAR WEIGHT: 500.5923
SMILES: C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)O)N)O
Structure:
CAS RN: 56740-43-3
CAS Name: 4,4-diphenyl-1-cyclopent-2-enamine hydrochloride
OPENEYE Name: 4,4-diphenylcyclopent-2-en-1-amine hydrochloride
IUPAC Name: 4,4-diphenylcyclopent-2-en-1-amine hydrochloride
SYSTEMATIC NAME: 4,4-diphenylcyclopent-2-en-1-amine hydrochloride
MOLECULAR FORMULA: C17H18ClN
MOLECULAR WEIGHT: 271.78452
SMILES: C1C(C=CC1(C2=CC=CC=C2)C3=CC=CC=C3)N.Cl
Structure:
CAS RN: 56670-26-9
CAS Name: 4-[3-methyl-4-[4-[[4-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]azo]anilino]-oxomethyl]phenyl]azo-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
OPENEYE Name: 4-[3-methyl-4-[4-[[4-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]azo]phenyl]carbamoyl]phenyl]azo-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
IUPAC Name: 4-[3-methyl-4-[[4-[[4-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]carbamoyl]phenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
SYSTEMATIC NAME: 4-[3-methyl-4-[[4-[[4-[[3-methyl-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]carbamoyl]phenyl]diazenyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid
MOLECULAR FORMULA: C33H27N9O9S2
MOLECULAR WEIGHT: 757.75238
SMILES: CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)N=NC4C(=NN(C4=O)C5=CC=C(C=C5)S(=O)(=O)O)C)C6=CC=C(C=C6)S(=O)(=O)O
Structure:
CAS RN: 56669-87-5
CAS Name: 2-(dimethylamino)ethanol; 2-hydroxypropanoic acid
OPENEYE Name: 2-(dimethylamino)ethanol; 2-hydroxypropanoic acid
IUPAC Name: 2-(dimethylamino)ethanol; 2-hydroxypropanoic acid
SYSTEMATIC NAME: 2-(dimethylamino)ethanol; 2-oxidanylpropanoic acid
MOLECULAR FORMULA: C7H17NO4
MOLECULAR WEIGHT: 179.21418
SMILES: CC(C(=O)O)O.CN(C)CCO
Structure:
CAS RN: 56663-60-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H34O7
MOLECULAR WEIGHT: 386.47976
SMILES: CC1(C(CC2C1(C(C(C34CC(C(C3O)CCC4C2(C)O)(C)O)O)O)O)O)C
Structure:
No comments:
Post a Comment