CAS RN: 65277-14-7
CAS Name: 8-chloro-2,2,8-trimethyl-3a,4,5,5a,8a,8b-hexahydro-[1,3]dioxolo[4,5-e]benzofuran-7-one
OPENEYE Name: 8-chloro-2,2,8-trimethyl-3a,4,5,5a,8a,8b-hexahydro-[1,3]dioxolo[4,5-e]benzofuran-7-one
IUPAC Name: 8-chloro-2,2,8-trimethyl-3a,4,5,5a,8a,8b-hexahydro-[1,3]dioxolo[4,5-e][1]benzofuran-7-one
SYSTEMATIC NAME: 8-chloranyl-2,2,8-trimethyl-3a,4,5,5a,8a,8b-hexahydro-[1,3]dioxolo[4,5-e][1]benzofuran-7-one
MOLECULAR FORMULA: C12H17ClO4
MOLECULAR WEIGHT: 260.71398
SMILES: CC1(OC2CCC3C(C2O1)C(C(=O)O3)(C)Cl)C
Structure:
CAS RN: 70960-83-7
CAS Name: 2-methoxy-5-methyl-3,6-bis(octadecylamino)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-methoxy-5-methyl-3,6-bis(octadecylamino)-1,4-benzoquinone
IUPAC Name: 2-methoxy-5-methyl-3,6-bis(octadecylamino)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-methoxy-5-methyl-3,6-bis(octadecylamino)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C44H82N2O3
MOLECULAR WEIGHT: 687.13348
SMILES: CCCCCCCCCCCCCCCCCCNC1=C(C(=O)C(=C(C1=O)OC)NCCCCCCCCCCCCCCCCCC)C
Structure:
CAS RN: 40359-00-0
CAS Name: 2,2-dimethyl-4,5-dihydro-3H-1,5-benzothiazepine
OPENEYE Name: 2,2-dimethyl-4,5-dihydro-3H-1,5-benzothiazepine
IUPAC Name: 2,2-dimethyl-4,5-dihydro-3H-1,5-benzothiazepine
SYSTEMATIC NAME: 2,2-dimethyl-4,5-dihydro-3H-1,5-benzothiazepine
MOLECULAR FORMULA: C11H15NS
MOLECULAR WEIGHT: 193.3085
SMILES: CC1(CCNC2=CC=CC=C2S1)C
Structure:
CAS RN: 79923-70-9
CAS Name: 3-(2-aminoanilino)-2-butenoic acid ethyl ester
OPENEYE Name: ethyl 3-(2-aminoanilino)but-2-enoate
IUPAC Name: ethyl 3-(2-aminoanilino)but-2-enoate
SYSTEMATIC NAME: ethyl 3-[(2-aminophenyl)amino]but-2-enoate
MOLECULAR FORMULA: C12H16N2O2
MOLECULAR WEIGHT: 220.26764
SMILES: CCOC(=O)C=C(C)NC1=CC=CC=C1N
Structure:
CAS RN: 22123-97-3
CAS Name: 2-methyl-1,2,3,5-tetrahydropyrido[2,3-b][1,4]diazepin-4-one
OPENEYE Name: 2-methyl-1,2,3,5-tetrahydropyrido[2,3-b][1,4]diazepin-4-one
IUPAC Name: 2-methyl-1,2,3,5-tetrahydropyrido[2,3-b][1,4]diazepin-4-one
SYSTEMATIC NAME: 2-methyl-1,2,3,5-tetrahydropyrido[2,3-b][1,4]diazepin-4-one
MOLECULAR FORMULA: C9H11N3O
MOLECULAR WEIGHT: 177.20314
SMILES: CC1CC(=O)NC2=C(N1)C=CC=N2
Structure:
CAS RN: 58413-99-3
CAS Name: 2,4-dimethyl-1H-1,5-benzodiazepine
OPENEYE Name: 2,4-dimethyl-1H-1,5-benzodiazepine
IUPAC Name: 2,4-dimethyl-1H-1,5-benzodiazepine
SYSTEMATIC NAME: 2,4-dimethyl-1H-1,5-benzodiazepine
MOLECULAR FORMULA: C11H12N2
MOLECULAR WEIGHT: 172.22638
SMILES: CC1=CC(=NC2=CC=CC=C2N1)C
Structure:
CAS RN: 51568-22-0
CAS Name: 13,15-dioxohexadecanoic acid
OPENEYE Name: 13,15-dioxohexadecanoic acid
IUPAC Name: 13,15-dioxohexadecanoic acid
SYSTEMATIC NAME: 13,15-bis(oxidanylidene)hexadecanoic acid
MOLECULAR FORMULA: C16H28O4
MOLECULAR WEIGHT: 284.39112
SMILES: CC(=O)CC(=O)CCCCCCCCCCCC(=O)O
Structure:
CAS RN: 51568-20-8
CAS Name: 8,10-dioxoundecanoic acid
OPENEYE Name: 8,10-dioxoundecanoic acid
IUPAC Name: 8,10-dioxoundecanoic acid
SYSTEMATIC NAME: 8,10-bis(oxidanylidene)undecanoic acid
MOLECULAR FORMULA: C11H18O4
MOLECULAR WEIGHT: 214.25822
SMILES: CC(=O)CC(=O)CCCCCCC(=O)O
Structure:
CAS RN: 3991-20-6
CAS Name: 6,8-dioxononanoic acid
OPENEYE Name: 6,8-dioxononanoic acid
IUPAC Name: 6,8-dioxononanoic acid
SYSTEMATIC NAME: 6,8-bis(oxidanylidene)nonanoic acid
MOLECULAR FORMULA: C9H14O4
MOLECULAR WEIGHT: 186.20506
SMILES: CC(=O)CC(=O)CCCCC(=O)O
Structure:
CAS RN: 51568-19-5
CAS Name: 5,7-dioxooctanoic acid
OPENEYE Name: 5,7-dioxooctanoic acid
IUPAC Name: 5,7-dioxooctanoic acid
SYSTEMATIC NAME: 5,7-bis(oxidanylidene)octanoic acid
MOLECULAR FORMULA: C8H12O4
MOLECULAR WEIGHT: 172.17848
SMILES: CC(=O)CC(=O)CCCC(=O)O
Structure:
CAS RN: 23313-21-5
CAS Name: 1,6-dihydroxy-3-methyl-8-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]anthracene-9,10-dione
OPENEYE Name: 1,6-dihydroxy-3-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-anthracene-9,10-dione
IUPAC Name: 1,6-dihydroxy-3-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
SYSTEMATIC NAME: 1-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-3,8-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C21H20O10
MOLECULAR WEIGHT: 432.3775
SMILES: CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)OC4C(C(C(C(O4)CO)O)O)O)O)O
Structure:
CAS RN: 1134-56-1
CAS Name: 2-ethoxy-5-phenyl-1,3,4-oxadiazole
OPENEYE Name: 2-ethoxy-5-phenyl-1,3,4-oxadiazole
IUPAC Name: 2-ethoxy-5-phenyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-ethoxy-5-phenyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C10H10N2O2
MOLECULAR WEIGHT: 190.1986
SMILES: CCOC1=NN=C(O1)C2=CC=CC=C2
Structure:
CAS RN: 51385-79-6
CAS Name: 2-(2-bromoethylidene)propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-(2-bromoethylidene)propanedioate
IUPAC Name: diethyl 2-(2-bromoethylidene)propanedioate
SYSTEMATIC NAME: diethyl 2-(2-bromanylethylidene)propanedioate
MOLECULAR FORMULA: C9H13BrO4
MOLECULAR WEIGHT: 265.10112
SMILES: CCOC(=O)C(=CCBr)C(=O)OCC
Structure:
CAS RN: 61786-56-9
CAS Name: 2-amino-3-(decylthio)propanoic acid
OPENEYE Name: 2-amino-3-decylsulfanyl-propanoic acid
IUPAC Name: 2-amino-3-decylsulfanylpropanoic acid
SYSTEMATIC NAME: 2-azanyl-3-decylsulfanyl-propanoic acid
MOLECULAR FORMULA: C13H27NO2S
MOLECULAR WEIGHT: 261.42398
SMILES: CCCCCCCCCCSCC(C(=O)O)N
Structure:
CAS RN: 29049-32-9
CAS Name: 3-chloro-6-hydrazinyl-N,N-bis(prop-2-enyl)-4-pyridazinamine
OPENEYE Name: N,N-diallyl-3-chloro-6-hydrazino-pyridazin-4-amine
IUPAC Name: 3-chloro-6-hydrazinyl-N,N-bis(prop-2-enyl)pyridazin-4-amine
SYSTEMATIC NAME: 3-chloranyl-6-diazanyl-N,N-bis(prop-2-enyl)pyridazin-4-amine
MOLECULAR FORMULA: C10H14ClN5
MOLECULAR WEIGHT: 239.70466
SMILES: C=CCN(CC=C)C1=CC(=NN=C1Cl)NN
Structure:
CAS RN: 29049-31-8
CAS Name: 3,6-dichloro-N,N-bis(prop-2-enyl)-4-pyridazinamine
OPENEYE Name: N,N-diallyl-3,6-dichloro-pyridazin-4-amine
IUPAC Name: 3,6-dichloro-N,N-bis(prop-2-enyl)pyridazin-4-amine
SYSTEMATIC NAME: 3,6-bis(chloranyl)-N,N-bis(prop-2-enyl)pyridazin-4-amine
MOLECULAR FORMULA: C10H11Cl2N3
MOLECULAR WEIGHT: 244.12044
SMILES: C=CCN(CC=C)C1=CC(=NN=C1Cl)Cl
Structure:
CAS RN: 33224-47-4
CAS Name: 2-[bromo(phenyl)methyl]-4,4-dimethyl-1-naphthalenone
OPENEYE Name: 2-[bromo(phenyl)methyl]-4,4-dimethyl-naphthalen-1-one
IUPAC Name: 2-[bromo(phenyl)methyl]-4,4-dimethylnaphthalen-1-one
SYSTEMATIC NAME: 2-[bromanyl(phenyl)methyl]-4,4-dimethyl-naphthalen-1-one
MOLECULAR FORMULA: C19H17BrO
MOLECULAR WEIGHT: 341.24168
SMILES: CC1(C=C(C(=O)C2=CC=CC=C21)C(C3=CC=CC=C3)Br)C
Structure:
CAS RN: 53512-17-7
CAS Name: 4-oxo-1H-cinnoline-3-carboxylic acid
OPENEYE Name: 4-oxo-1H-cinnoline-3-carboxylic acid
IUPAC Name: 4-oxo-1H-cinnoline-3-carboxylic acid
SYSTEMATIC NAME: 4-oxidanylidene-1H-cinnoline-3-carboxylic acid
MOLECULAR FORMULA: C9H6N2O3
MOLECULAR WEIGHT: 190.15554
SMILES: C1=CC=C2C(=C1)C(=O)C(=NN2)C(=O)O
Structure:
CAS RN: 59032-30-3
CAS Name: N-(3-cyano-2H-pyrazolo[3,4-d]pyrimidin-4-yl)-2,2,2-trifluoroacetamide
OPENEYE Name: N-(3-cyano-2H-pyrazolo[3,4-d]pyrimidin-4-yl)-2,2,2-trifluoro-acetamide
IUPAC Name: N-(3-cyano-2H-pyrazolo[3,4-d]pyrimidin-4-yl)-2,2,2-trifluoroacetamide
SYSTEMATIC NAME: N-(3-cyano-2H-pyrazolo[3,4-d]pyrimidin-4-yl)-2,2,2-tris(fluoranyl)ethanamide
MOLECULAR FORMULA: C8H3F3N6O
MOLECULAR WEIGHT: 256.14423
SMILES: C1=NC2=NNC(=C2C(=N1)NC(=O)C(F)(F)F)C#N
Structure:
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