CAS RN: 55343-67-4
CAS Name: cesium; oxygen(2-); vanadium
OPENEYE Name: cesium; oxygen(2-); vanadium
IUPAC Name: cesium; oxygen(2-); vanadium
SYSTEMATIC NAME: cesium; oxygen(2-); vanadium
MOLECULAR FORMULA: CsOV-
MOLECULAR WEIGHT: 199.84635
SMILES: [O-2].[V].[Cs+]
Structure:
CAS RN: 55319-36-3
CAS Name: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihyd
OPENEYE Name: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydro
IUPAC Name: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydro
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidany
MOLECULAR FORMULA: C47H76O17
MOLECULAR WEIGHT: 913.09614
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O[C@H]4CC[C@]5([C@H]([C@@]4(C)CO)CC[C@@]6([C@@H]5CC=C7[C@]6(CC[C@@]8([C@H]7CC(C[C@@H]8O)(C)C)C)C)C)C)C(=O)O)O)O)O)O)O)O)O
Structure:
CAS RN: 55316-22-8
CAS Name: N-(2-oxo-3-thiolanyl)-3-pyridinecarboxamide
OPENEYE Name: N-(2-oxotetrahydrothiophen-3-yl)pyridine-3-carboxamide
IUPAC Name: N-(2-oxothiolan-3-yl)pyridine-3-carboxamide
SYSTEMATIC NAME: N-(2-oxidanylidenethiolan-3-yl)pyridine-3-carboxamide
MOLECULAR FORMULA: C10H10N2O2S
MOLECULAR WEIGHT: 222.2636
SMILES: C1CSC(=O)C1NC(=O)C2=CN=CC=C2
Structure:
CAS RN: 55304-02-4
CAS Name: (2S,3R,4S,5R,6R)-6-[[(6aR,6bS,8aR,9S,12aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]o
OPENEYE Name: (2S,3R,4S,5R,6R)-6-[[(6aR,6bS,8aR,9S,12aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropy
IUPAC Name: (2S,3R,4S,5R,6R)-6-[[(6aR,6bS,8aR,9S,12aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ox
SYSTEMATIC NAME: (2S,3R,4S,5R,6R)-6-[[(6aR,6bS,8aR,9S,12aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis
MOLECULAR FORMULA: C42H68O14
MOLECULAR WEIGHT: 796.98092
SMILES: C[C@@]12CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CCC(C5(C)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)C)C)[C@H]1CC(C[C@@H]2O)(C)C)C
Structure:
CAS RN: 55299-63-3
CAS Name: (2S)-N-[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-2-pyrrolidinecarboxamide
OPENEYE Name: (2S)-N-[(1S)-5-amino-1-[(2-amino-2-oxo-ethyl)carbamoyl]pentyl]pyrrolidine-2-carboxamide
IUPAC Name: (2S)-N-[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-[(2S)-6-azanyl-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-hexan-2-yl]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C13H25N5O3
MOLECULAR WEIGHT: 299.3693
SMILES: C1C[C@H](NC1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N
Structure:
CAS RN: 55296-90-7
CAS Name: 3-[4-[(5-nitro-2-thiazolyl)azo]-N-(3-phenylpropyl)anilino]propanenitrile
OPENEYE Name: 3-[4-(5-nitrothiazol-2-yl)azo-N-(3-phenylpropyl)anilino]propanenitrile
IUPAC Name: 3-[4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]-N-(3-phenylpropyl)anilino]propanenitrile
SYSTEMATIC NAME: 3-[[4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl]-(3-phenylpropyl)amino]propanenitrile
MOLECULAR FORMULA: C21H20N6O2S
MOLECULAR WEIGHT: 420.4875
SMILES: C1=CC=C(C=C1)CCCN(CCC#N)C2=CC=C(C=C2)N=NC3=NC=C(S3)[N+](=O)[O-]
Structure:
CAS RN: 55273-63-7
CAS Name: 5-ethenyl-4-[[(5-ethenyl-3-hydroxy-2-methyl-4-pyridinyl)methyldisulfanyl]methyl]-2-methyl-3-pyridinol
OPENEYE Name: 4-[[(3-hydroxy-2-methyl-5-vinyl-4-pyridyl)methyldisulfanyl]methyl]-2-methyl-5-vinyl-pyridin-3-ol
IUPAC Name: 5-ethenyl-4-[[(5-ethenyl-3-hydroxy-2-methylpyridin-4-yl)methyldisulfanyl]methyl]-2-methylpyridin-3-ol
SYSTEMATIC NAME: 5-ethenyl-4-[[(5-ethenyl-2-methyl-3-oxidanyl-pyridin-4-yl)methyldisulfanyl]methyl]-2-methyl-pyridin-3-ol
MOLECULAR FORMULA: C18H20N2O2S2
MOLECULAR WEIGHT: 360.4936
SMILES: CC1=NC=C(C(=C1O)CSSCC2=C(C(=NC=C2C=C)C)O)C=C
Structure:
CAS RN: 55257-88-0
CAS Name: 1-decyl-2-pyrrolidinone
OPENEYE Name: 1-decylpyrrolidin-2-one
IUPAC Name: 1-decylpyrrolidin-2-one
SYSTEMATIC NAME: 1-decylpyrrolidin-2-one
MOLECULAR FORMULA: C14H27NO
MOLECULAR WEIGHT: 225.37028
SMILES: CCCCCCCCCCN1CCCC1=O
Structure:
CAS RN: 55257-65-3
CAS Name: 6-methoxy-N2,N4-di(propan-2-yl)-1,3,5-triazine-2,4-diamine; 2,3,4,5,6-pentachlorophenol
OPENEYE Name: N2,N4-diisopropyl-6-methoxy-1,3,5-triazine-2,4-diamine; 2,3,4,5,6-pentachlorophenol
IUPAC Name: 6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine; 2,3,4,5,6-pentachlorophenol
SYSTEMATIC NAME: 6-methoxy-N2,N4-di(propan-2-yl)-1,3,5-triazine-2,4-diamine; 2,3,4,5,6-pentakis(chloranyl)phenol
MOLECULAR FORMULA: C16H20Cl5N5O2
MOLECULAR WEIGHT: 491.6273
SMILES: CC(C)NC1=NC(=NC(=N1)OC)NC(C)C.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O
Structure:
CAS RN: 55231-08-8
CAS Name: benzene-1,4-dicarboxylic acid dimethyl ester; butane-1,4-diol; hexanedioic acid
OPENEYE Name: adipic acid; butane-1,4-diol; dimethyl benzene-1,4-dicarboxylate
IUPAC Name: butane-1,4-diol; dimethyl benzene-1,4-dicarboxylate; hexanedioic acid
SYSTEMATIC NAME: butane-1,4-diol; dimethyl benzene-1,4-dicarboxylate; hexanedioic acid
MOLECULAR FORMULA: C20H30O10
MOLECULAR WEIGHT: 430.4462
SMILES: COC(=O)C1=CC=C(C=C1)C(=O)OC.C(CCC(=O)O)CC(=O)O.C(CCO)CO
Structure:
CAS RN: 55228-77-8
CAS Name: (10S,11S)-11-butyl-5-azaspiro[5.5]undecan-10-ol
OPENEYE Name: (10S,11S)-11-butyl-5-azaspiro[5.5]undecan-10-ol
IUPAC Name: (10S,11S)-11-butyl-5-azaspiro[5.5]undecan-10-ol
SYSTEMATIC NAME: (10S,11S)-11-butyl-5-azaspiro[5.5]undecan-10-ol
MOLECULAR FORMULA: C14H27NO
MOLECULAR WEIGHT: 225.37028
SMILES: CCCC[C@@H]1[C@H](CCCC12CCCCN2)O
Structure:
CAS RN: 55207-83-5
CAS Name: (3S)-4-[[(2S)-4-amino-1-[[(1S)-1-carboxyethyl]amino]-1,4-dioxobutan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-methyl-1-oxopent
OPENEYE Name: (3S)-4-[[(1S)-3-amino-1-[[(1S)-1-carboxyethyl]carbamoyl]-3-oxo-propyl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoy
IUPAC Name: (3S)-4-[[(2S)-4-amino-1-[[(1S)-1-carboxyethyl]amino]-1,4-dioxobutan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-
SYSTEMATIC NAME: (3S)-4-[[(2S)-4-azanyl-1,4-bis(oxidanylidene)-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamin
MOLECULAR FORMULA: C41H66N12O13
MOLECULAR WEIGHT: 935.03534
SMILES: C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)N
Structure:
CAS RN: 55206-48-9
CAS Name: 12-hydroxyoctadecanoic acid; oxirane
OPENEYE Name: 12-hydroxyoctadecanoic acid; oxirane
IUPAC Name: 12-hydroxyoctadecanoic acid; oxirane
SYSTEMATIC NAME: 12-oxidanyloctadecanoic acid; oxirane
MOLECULAR FORMULA: C20H40O4
MOLECULAR WEIGHT: 344.5292
SMILES: CCCCCCC(CCCCCCCCCCC(=O)O)O.C1CO1
Structure:
CAS RN: 55199-96-7
CAS Name: boric acid; ethenol
OPENEYE Name: boric acid; ethenol
IUPAC Name: boric acid; ethenol
SYSTEMATIC NAME: boric acid; ethenol
MOLECULAR FORMULA: C2H7BO4
MOLECULAR WEIGHT: 105.88558
SMILES: B(O)(O)O.C=CO
Structure:
CAS RN: 68389-45-7
CAS Name: boric acid; ethenol
OPENEYE Name: boric acid; ethenol
IUPAC Name: boric acid; ethenol
SYSTEMATIC NAME: boric acid; ethenol
MOLECULAR FORMULA: C2H7BO4
MOLECULAR WEIGHT: 105.88558
SMILES: B(O)(O)O.C=CO
Structure:
CAS RN: 55185-45-0
CAS Name: 6-amino-6-methyl-1-cyclohexa-1,3-dienol; formaldehyde; phenol
OPENEYE Name: 6-amino-6-methyl-cyclohexa-1,3-dien-1-ol; formaldehyde; phenol
IUPAC Name: 6-amino-6-methylcyclohexa-1,3-dien-1-ol; formaldehyde; phenol
SYSTEMATIC NAME: 6-azanyl-6-methyl-cyclohexa-1,3-dien-1-ol; methanal; phenol
MOLECULAR FORMULA: C14H19NO3
MOLECULAR WEIGHT: 249.30556
SMILES: CC1(CC=CC=C1O)N.C=O.C1=CC=C(C=C1)O
Structure:
CAS RN: 55180-24-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H30O5
MOLECULAR WEIGHT: 374.4706
SMILES: C[C@]12CC=C3[C@H]([C@@H]1CCC24OCCO4)CC[C@@]56[C@@]3(O5)CCC7(C6)OCCO7
Structure:
CAS RN: 55175-50-3
CAS Name: 2-(1-benzimidazolyl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(benzimidazol-1-yl)acetate
IUPAC Name: ethyl 2-(benzimidazol-1-yl)acetate
SYSTEMATIC NAME: ethyl 2-(benzimidazol-1-yl)ethanoate
MOLECULAR FORMULA: C11H12N2O2
MOLECULAR WEIGHT: 204.22518
SMILES: CCOC(=O)CN1C=NC2=CC=CC=C21
Structure:
CAS RN: 55174-61-3
CAS Name: 2-(3,4-dimethoxyphenyl)-1-propanamine
OPENEYE Name: 2-(3,4-dimethoxyphenyl)propan-1-amine
IUPAC Name: 2-(3,4-dimethoxyphenyl)propan-1-amine
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)propan-1-amine
MOLECULAR FORMULA: C11H17NO2
MOLECULAR WEIGHT: 195.25818
SMILES: CC(CN)C1=CC(=C(C=C1)OC)OC
Structure:
CAS RN: 55128-83-1
CAS Name: 2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-3-furanone; iron(2+); sulfate
OPENEYE Name: ferrous 2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one sulfate
IUPAC Name: 2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one; iron(2+); sulfate
SYSTEMATIC NAME: 2-[(1S)-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one; iron(2+); sulfate
MOLECULAR FORMULA: C6H8FeO10S
MOLECULAR WEIGHT: 328.03172
SMILES: C([C@@H](C1C(=O)C(=C(O1)O)O)O)O.[O-]S(=O)(=O)[O-].[Fe+2]
Structure:
CAS RN: 39384-54-8
CAS Name: 2-methyloxirane; octadecanoic acid; oxirane
OPENEYE Name: 2-methyloxirane; oxirane; stearic acid
IUPAC Name: 2-methyloxirane; octadecanoic acid; oxirane
SYSTEMATIC NAME: 2-methyloxirane; octadecanoic acid; oxirane
MOLECULAR FORMULA: C41H82O6
MOLECULAR WEIGHT: 671.08618
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CC1CO1.C1CO1
Structure:
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