CAS RN: 122637-39-2
CAS Name: 6-acetyl-2-pyridinecarboxylic acid
OPENEYE Name: 6-acetylpyridine-2-carboxylic acid
IUPAC Name: 6-acetylpyridine-2-carboxylic acid
SYSTEMATIC NAME: 6-ethanoylpyridine-2-carboxylic acid
MOLECULAR FORMULA: C8H7NO3
MOLECULAR WEIGHT: 165.14608
SMILES: CC(=O)C1=NC(=CC=C1)C(=O)O
Structure:
CAS RN: 172686-04-3
CAS Name: 4-methyl-6,7,8,9-tetrahydrobenzofuro[3,2-g][1]benzopyran-2,5,11-trione
OPENEYE Name: 4-methyl-6,7,8,9-tetrahydrobenzofuro[3,2-g]chromene-2,5,11-trione
IUPAC Name: 4-methyl-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromene-2,5,11-trione
SYSTEMATIC NAME: 4-methyl-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromene-2,5,11-trione
MOLECULAR FORMULA: C16H12O5
MOLECULAR WEIGHT: 284.26348
SMILES: CC1=CC(=O)OC2=C1C(=O)C3=C(C2=O)OC4=C3CCCC4
Structure:
CAS RN: 14613-36-6
CAS Name: 2-ethyl-1-pyridin-1-iumamine iodide
OPENEYE Name: 2-ethylpyridin-1-ium-1-amine iodide
IUPAC Name: 2-ethylpyridin-1-ium-1-amine iodide
SYSTEMATIC NAME: 2-ethylpyridin-1-ium-1-amine iodide
MOLECULAR FORMULA: C7H11IN2
MOLECULAR WEIGHT: 250.08011
SMILES: CCC1=CC=CC=[N+]1N.[I-]
Structure:
CAS RN: 168628-97-5
CAS Name: 2-amino-8-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
OPENEYE Name: 2-amino-8-hydroxy-tetralin-2-carboxylic acid
IUPAC Name: 2-amino-8-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SYSTEMATIC NAME: 2-azanyl-8-oxidanyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
MOLECULAR FORMULA: C11H13NO3
MOLECULAR WEIGHT: 207.22582
SMILES: C1CC(CC2=C1C=CC=C2O)(C(=O)O)N
Structure:
CAS RN: 150019-57-1
CAS Name: 4-(1,3-benzodioxol-5-yl)-4-hydroxy-1-cyclohexanone
OPENEYE Name: 4-(1,3-benzodioxol-5-yl)-4-hydroxy-cyclohexanone
IUPAC Name: 4-(1,3-benzodioxol-5-yl)-4-hydroxycyclohexan-1-one
SYSTEMATIC NAME: 4-(1,3-benzodioxol-5-yl)-4-oxidanyl-cyclohexan-1-one
MOLECULAR FORMULA: C13H14O4
MOLECULAR WEIGHT: 234.24786
SMILES: C1CC(CCC1=O)(C2=CC3=C(C=C2)OCO3)O
Structure:
CAS RN: 163457-22-5
CAS Name: 3,3-difluoro-1-pyrrolidinecarboxylic acid (phenylmethyl) ester
OPENEYE Name: benzyl 3,3-difluoropyrrolidine-1-carboxylate
IUPAC Name: benzyl 3,3-difluoropyrrolidine-1-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 3,3-bis(fluoranyl)pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C12H13F2NO2
MOLECULAR WEIGHT: 241.233926
SMILES: C1CN(CC1(F)F)C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 94944-77-1
CAS Name: (Z)-N-[2-[2-[(Z)-heptadec-8-enyl]-3-methyl-4,5-dihydroimidazol-3-ium-1-yl]ethyl]-9-octadecenamide; methyl sulfate
OPENEYE Name: (Z)-N-[2-[2-[(Z)-heptadec-8-enyl]-3-methyl-4,5-dihydroimidazol-3-ium-1-yl]ethyl]octadec-9-enamide; methyl sulfate
IUPAC Name: (Z)-N-[2-[2-[(Z)-heptadec-8-enyl]-3-methyl-4,5-dihydroimidazol-3-ium-1-yl]ethyl]octadec-9-enamide; methyl sulfate
SYSTEMATIC NAME: (Z)-N-[2-[2-[(Z)-heptadec-8-enyl]-3-methyl-4,5-dihydroimidazol-3-ium-1-yl]ethyl]octadec-9-enamide; methyl sulfate
MOLECULAR FORMULA: C42H81N3O5S
MOLECULAR WEIGHT: 740.17464
SMILES: CCCCCCCC/C=C\CCCCCCCC1=[N+](CCN1CCNC(=O)CCCCCCC/C=C\CCCCCCCC)C.COS(=O)(=O)[O-]
Structure:
CAS RN: 19501-89-4
CAS Name: 3,3,7-trimethyl-1H-indol-2-one
OPENEYE Name: 3,3,7-trimethylindolin-2-one
IUPAC Name: 3,3,7-trimethyl-1H-indol-2-one
SYSTEMATIC NAME: 3,3,7-trimethyl-1H-indol-2-one
MOLECULAR FORMULA: C11H13NO
MOLECULAR WEIGHT: 175.22702
SMILES: CC1=CC=CC2=C1NC(=O)C2(C)C
Structure:
CAS RN: 180160-97-8
CAS Name: spiro[3,4-dihydro-1H-2-benzopyran-1,4'-piperidine]
OPENEYE Name: spiro[isochromane-1,4'-piperidine]
IUPAC Name: spiro[3,4-dihydroisochromene-1,4'-piperidine]
SYSTEMATIC NAME: spiro[3,4-dihydroisochromene-1,4'-piperidine]
MOLECULAR FORMULA: C13H17NO
MOLECULAR WEIGHT: 203.28018
SMILES: C1COC2(CCNCC2)C3=CC=CC=C31
Structure:
CAS RN: 1695-37-0
CAS Name: 9-chlorobenzo[b]quinolizin-5-ium perchlorate
OPENEYE Name: 9-chlorobenzo[b]quinolizin-5-ium perchlorate
IUPAC Name: 9-chlorobenzo[b]quinolizin-5-ium perchlorate
SYSTEMATIC NAME: 9-chloranylbenzo[b]quinolizin-5-ium perchlorate
MOLECULAR FORMULA: C13H9Cl2NO4
MOLECULAR WEIGHT: 314.12086
SMILES: C1=CC=[N+]2C=C3C=CC(=CC3=CC2=C1)Cl.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 27755-38-0
CAS Name: 9-nitrobenzo[b]quinolizin-5-ium perchlorate
OPENEYE Name: 9-nitrobenzo[b]quinolizin-5-ium perchlorate
IUPAC Name: 9-nitrobenzo[b]quinolizin-5-ium perchlorate
SYSTEMATIC NAME: 9-nitrobenzo[b]quinolizin-5-ium perchlorate
MOLECULAR FORMULA: C13H9ClN2O6
MOLECULAR WEIGHT: 324.67336
SMILES: C1=CC=[N+]2C=C3C=CC(=CC3=CC2=C1)[N+](=O)[O-].[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 18507-95-4
CAS Name: benzo[b]quinolizin-5-ium perchlorate
OPENEYE Name: benzo[b]quinolizin-5-ium perchlorate
IUPAC Name: benzo[b]quinolizin-5-ium perchlorate
SYSTEMATIC NAME: benzo[b]quinolizin-5-ium perchlorate
MOLECULAR FORMULA: C13H10ClNO4
MOLECULAR WEIGHT: 279.6758
SMILES: C1=CC=C2C=[N+]3C=CC=CC3=CC2=C1.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 37622-98-3
CAS Name: 5-aminonaphthalene-2,3-dicarbonitrile
OPENEYE Name: 5-aminonaphthalene-2,3-dicarbonitrile
IUPAC Name: 5-aminonaphthalene-2,3-dicarbonitrile
SYSTEMATIC NAME: 5-azanylnaphthalene-2,3-dicarbonitrile
MOLECULAR FORMULA: C12H7N3
MOLECULAR WEIGHT: 193.20408
SMILES: C1=CC2=C(C=C(C(=C2)C#N)C#N)C(=C1)N
Structure:
CAS RN: 169339-75-7
CAS Name: 2-[(E)-hept-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
OPENEYE Name: 2-[(E)-hept-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name: 2-[(E)-hept-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SYSTEMATIC NAME: 2-[(E)-hept-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
MOLECULAR FORMULA: C13H25BO2
MOLECULAR WEIGHT: 224.1474
SMILES: B1(OC(C(O1)(C)C)(C)C)/C=C/CCCCC
Structure:
CAS RN: 139697-98-6
CAS Name: 1-(3-ethynylphenyl)ethanone
OPENEYE Name: 1-(3-ethynylphenyl)ethanone
IUPAC Name: 1-(3-ethynylphenyl)ethanone
SYSTEMATIC NAME: 1-(3-ethynylphenyl)ethanone
MOLECULAR FORMULA: C10H8O
MOLECULAR WEIGHT: 144.16992
SMILES: CC(=O)C1=CC=CC(=C1)C#C
Structure:
CAS RN: 135862-45-2
CAS Name: 4-(3,4-difluorophenyl)benzaldehyde
OPENEYE Name: 4-(3,4-difluorophenyl)benzaldehyde
IUPAC Name: 4-(3,4-difluorophenyl)benzaldehyde
SYSTEMATIC NAME: 4-[3,4-bis(fluoranyl)phenyl]benzaldehyde
MOLECULAR FORMULA: C13H8F2O
MOLECULAR WEIGHT: 218.198826
SMILES: C1=CC(=CC=C1C=O)C2=CC(=C(C=C2)F)F
Structure:
CAS RN: 113659-04-4
CAS Name: N-[3-[[[[bis(phenylmethyl)amino]oxy-oxomethyl]amino]methyl]-3,5,5-trimethylcyclohexyl]carbamic acid [bis(phenylmethyl)amino] ester
OPENEYE Name: (dibenzylamino) N-[3-[[(dibenzylamino)oxycarbonylamino]methyl]-3,5,5-trimethyl-cyclohexyl]carbamate
IUPAC Name: (dibenzylamino) N-[3-[[(dibenzylamino)oxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]carbamate
SYSTEMATIC NAME: [bis(phenylmethyl)amino] N-[3-[[[bis(phenylmethyl)amino]oxycarbonylamino]methyl]-3,5,5-trimethyl-cyclohexyl]carbamate
MOLECULAR FORMULA: C40H48N4O4
MOLECULAR WEIGHT: 648.83352
SMILES: CC1(CC(CC(C1)(C)CNC(=O)ON(CC2=CC=CC=C2)CC3=CC=CC=C3)NC(=O)ON(CC4=CC=CC=C4)CC5=CC=CC=C5)C
Structure:
CAS RN: 142074-20-2
CAS Name: 6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine
OPENEYE Name: 6-chloro-2-(p-tolyl)imidazo[1,2-a]pyrimidine
IUPAC Name: 6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine
SYSTEMATIC NAME: 6-chloranyl-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine
MOLECULAR FORMULA: C13H10ClN3
MOLECULAR WEIGHT: 243.6916
SMILES: CC1=CC=C(C=C1)C2=CN3C=C(C=NC3=N2)Cl
Structure:
CAS RN: 69237-09-8
CAS Name: 2-(4-chloro-2-methylphenoxy)propanoic acid; N-methylmethanamine
OPENEYE Name: 2-(4-chloro-2-methyl-phenoxy)propanoic acid; N-methylmethanamine
IUPAC Name: 2-(4-chloro-2-methylphenoxy)propanoic acid; N-methylmethanamine
SYSTEMATIC NAME: 2-(4-chloranyl-2-methyl-phenoxy)propanoic acid; N-methylmethanamine
MOLECULAR FORMULA: C12H18ClNO3
MOLECULAR WEIGHT: 259.72922
SMILES: CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O.CNC
Structure:
CAS RN: 6163-62-8
CAS Name: tris(3-methylphenyl)-sulfanylidenephosphorane
OPENEYE Name: tris-m-tolyl(thioxo)-$l^{5}-phosphane
IUPAC Name: tris(3-methylphenyl)-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: tris(3-methylphenyl)-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C21H21PS
MOLECULAR WEIGHT: 336.430201
SMILES: CC1=CC(=CC=C1)P(=S)(C2=CC=CC(=C2)C)C3=CC=CC(=C3)C
Structure:
CAS RN: 6163-61-7
CAS Name: tris(2-methylphenyl)-sulfanylidenephosphorane
OPENEYE Name: tris-o-tolyl(thioxo)-$l^{5}-phosphane
IUPAC Name: tris(2-methylphenyl)-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: tris(2-methylphenyl)-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C21H21PS
MOLECULAR WEIGHT: 336.430201
SMILES: CC1=CC=CC=C1P(=S)(C2=CC=CC=C2C)C3=CC=CC=C3C
Structure:
CAS RN: 141345-08-6
CAS Name: but-3-ynylcyclohexane
OPENEYE Name: but-3-ynylcyclohexane
IUPAC Name: but-3-ynylcyclohexane
SYSTEMATIC NAME: but-3-ynylcyclohexane
MOLECULAR FORMULA: C10H16
MOLECULAR WEIGHT: 136.23404
SMILES: C#CCCC1CCCCC1
Structure:
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