CAS RN: 18002-32-9
CAS Name: 1-(3-acetyl-4,5-dihydroxy-7-methyl-1-naphthalenyl)ethanone
OPENEYE Name: 1-(3-acetyl-4,5-dihydroxy-7-methyl-1-naphthyl)ethanone
IUPAC Name: 1-(3-acetyl-4,5-dihydroxy-7-methylnaphthalen-1-yl)ethanone
SYSTEMATIC NAME: 1-[3-ethanoyl-7-methyl-4,5-bis(oxidanyl)naphthalen-1-yl]ethanone
MOLECULAR FORMULA: C15H14O4
MOLECULAR WEIGHT: 258.26926
SMILES: CC1=CC(=C2C(=C1)C(=CC(=C2O)C(=O)C)C(=O)C)O
Structure:
CAS RN: 132461-43-9
CAS Name: 1,7-bis(2-hydroxy-4-methylphenyl)heptane-1,7-dione
OPENEYE Name: 1,7-bis(2-hydroxy-4-methyl-phenyl)heptane-1,7-dione
IUPAC Name: 1,7-bis(2-hydroxy-4-methylphenyl)heptane-1,7-dione
SYSTEMATIC NAME: 1,7-bis(4-methyl-2-oxidanyl-phenyl)heptane-1,7-dione
MOLECULAR FORMULA: C21H24O4
MOLECULAR WEIGHT: 340.41286
SMILES: CC1=CC(=C(C=C1)C(=O)CCCCCC(=O)C2=C(C=C(C=C2)C)O)O
Structure:
CAS RN: 59121-24-3
CAS Name: 2,5-dioxo-1,3,3a,4,6,6a-hexahydropentalene-1,3,4,6-tetracarboxylic acid tetramethyl ester
OPENEYE Name: tetramethyl 2,5-dioxo-1,3,3a,4,6,6a-hexahydropentalene-1,3,4,6-tetracarboxylate
IUPAC Name: tetramethyl 2,5-dioxo-1,3,3a,4,6,6a-hexahydropentalene-1,3,4,6-tetracarboxylate
SYSTEMATIC NAME: tetramethyl 2,5-bis(oxidanylidene)-1,3,3a,4,6,6a-hexahydropentalene-1,3,4,6-tetracarboxylate
MOLECULAR FORMULA: C16H18O10
MOLECULAR WEIGHT: 370.30812
SMILES: COC(=O)C1C2C(C(C1=O)C(=O)OC)C(C(=O)C2C(=O)OC)C(=O)OC
Structure:
CAS RN: 21089-44-1
CAS Name: 2-[[carboxy(diphenyl)methyl]disulfanyl]-2,2-diphenylacetic acid
OPENEYE Name: 2-[[carboxy(diphenyl)methyl]disulfanyl]-2,2-diphenyl-acetic acid
IUPAC Name: 2-[[carboxy(diphenyl)methyl]disulfanyl]-2,2-diphenylacetic acid
SYSTEMATIC NAME: 2-[(2-oxidanyl-2-oxidanylidene-1,1-diphenyl-ethyl)disulfanyl]-2,2-diphenyl-ethanoic acid
MOLECULAR FORMULA: C28H22O4S2
MOLECULAR WEIGHT: 486.60188
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)SSC(C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)O
Structure:
CAS RN: 33925-32-5
CAS Name: 1-(2-hydroxy-3-phenyl-3H-inden-1-yl)ethanone
OPENEYE Name: 1-(2-hydroxy-3-phenyl-3H-inden-1-yl)ethanone
IUPAC Name: 1-(2-hydroxy-3-phenyl-3H-inden-1-yl)ethanone
SYSTEMATIC NAME: 1-(2-oxidanyl-3-phenyl-3H-inden-1-yl)ethanone
MOLECULAR FORMULA: C17H14O2
MOLECULAR WEIGHT: 250.29186
SMILES: CC(=O)C1=C(C(C2=CC=CC=C21)C3=CC=CC=C3)O
Structure:
CAS RN: 34153-47-4
CAS Name: 1-(2-hydroxy-3-phenyl-3H-inden-1-yl)ethanone
OPENEYE Name: 1-(2-hydroxy-3-phenyl-3H-inden-1-yl)ethanone
IUPAC Name: 1-(2-hydroxy-3-phenyl-3H-inden-1-yl)ethanone
SYSTEMATIC NAME: 1-(2-oxidanyl-3-phenyl-3H-inden-1-yl)ethanone
MOLECULAR FORMULA: C17H14O2
MOLECULAR WEIGHT: 250.29186
SMILES: CC(=O)C1=C(C(C2=CC=CC=C21)C3=CC=CC=C3)O
Structure:
CAS RN: 3969-46-8
CAS Name: 10-imino-9-phenanthrenone
OPENEYE Name: 10-iminophenanthren-9-one
IUPAC Name: 10-iminophenanthren-9-one
SYSTEMATIC NAME: 10-azanylidenephenanthren-9-one
MOLECULAR FORMULA: C14H9NO
MOLECULAR WEIGHT: 207.22736
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=N
Structure:
CAS RN: 72252-96-1
CAS Name: 1-nitro-4-[2-[(4-nitrophenyl)thio]ethylthio]benzene
OPENEYE Name: 1-nitro-4-[2-(4-nitrophenyl)sulfanylethylsulfanyl]benzene
IUPAC Name: 1-nitro-4-[2-(4-nitrophenyl)sulfanylethylsulfanyl]benzene
SYSTEMATIC NAME: 1-nitro-4-[2-(4-nitrophenyl)sulfanylethylsulfanyl]benzene
MOLECULAR FORMULA: C14H12N2O4S2
MOLECULAR WEIGHT: 336.38608
SMILES: C1=CC(=CC=C1[N+](=O)[O-])SCCSC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 10359-65-6
CAS Name: 1-methyl-4-[2-(4-methylphenyl)sulfinylethylsulfinyl]benzene
OPENEYE Name: 1-methyl-4-[2-(p-tolylsulfinyl)ethylsulfinyl]benzene
IUPAC Name: 1-methyl-4-[2-(4-methylphenyl)sulfinylethylsulfinyl]benzene
SYSTEMATIC NAME: 1-methyl-4-[2-(4-methylphenyl)sulfinylethylsulfinyl]benzene
MOLECULAR FORMULA: C16H18O2S2
MOLECULAR WEIGHT: 306.44292
SMILES: CC1=CC=C(C=C1)S(=O)CCS(=O)C2=CC=C(C=C2)C
Structure:
CAS RN: 33667-82-2
CAS Name: 1-chloro-2-(phenylthio)benzene
OPENEYE Name: 1-chloro-2-phenylsulfanyl-benzene
IUPAC Name: 1-chloro-2-phenylsulfanylbenzene
SYSTEMATIC NAME: 1-chloranyl-2-phenylsulfanyl-benzene
MOLECULAR FORMULA: C12H9ClS
MOLECULAR WEIGHT: 220.71786
SMILES: C1=CC=C(C=C1)SC2=CC=CC=C2Cl
Structure:
CAS RN: 89981-07-7
CAS Name: acetic acid [acetyloxy-(4-fluorosulfonylphenyl)methyl] ester
OPENEYE Name: [acetoxy-(4-fluorosulfonylphenyl)methyl] acetate
IUPAC Name: [acetyloxy-(4-fluorosulfonylphenyl)methyl] acetate
SYSTEMATIC NAME: [acetyloxy-(4-fluorosulfonylphenyl)methyl] ethanoate
MOLECULAR FORMULA: C11H11FO6S
MOLECULAR WEIGHT: 290.264843
SMILES: CC(=O)OC(C1=CC=C(C=C1)S(=O)(=O)F)OC(=O)C
Structure:
CAS RN: 31191-21-6
CAS Name: N-(3-methylphenyl)-3-(4-nitrophenyl)-2-propenamide
OPENEYE Name: N-(m-tolyl)-3-(4-nitrophenyl)prop-2-enamide
IUPAC Name: N-(3-methylphenyl)-3-(4-nitrophenyl)prop-2-enamide
SYSTEMATIC NAME: N-(3-methylphenyl)-3-(4-nitrophenyl)prop-2-enamide
MOLECULAR FORMULA: C16H14N2O3
MOLECULAR WEIGHT: 282.29396
SMILES: CC1=CC(=CC=C1)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 27963-97-9
CAS Name: 2-amino-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d]oxazol-6-ol
OPENEYE Name: 2-amino-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d]oxazol-6-ol
IUPAC Name: 2-amino-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-6-ol
SYSTEMATIC NAME: 2-azanyl-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-6-ol
MOLECULAR FORMULA: C6H10N2O4
MOLECULAR WEIGHT: 174.1546
SMILES: C(C1C(C2C(O1)N=C(O2)N)O)O
Structure:
CAS RN: 27963-98-0
CAS Name: 2-amino-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d]oxazol-6-ol
OPENEYE Name: 2-amino-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d]oxazol-6-ol
IUPAC Name: 2-amino-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-6-ol
SYSTEMATIC NAME: 2-azanyl-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-6-ol
MOLECULAR FORMULA: C6H10N2O4
MOLECULAR WEIGHT: 174.1546
SMILES: C(C1C(C2C(O1)N=C(O2)N)O)O
Structure:
CAS RN: 50874-31-2
CAS Name: 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N,N-dimethylpropanamide; ethanesulfonic acid
OPENEYE Name: 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N,N-dimethyl-propanamide; ethanesulfonic acid
IUPAC Name: 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N,N-dimethylpropanamide; ethanesulfonic acid
SYSTEMATIC NAME: 3-[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]phenyl]-N,N-dimethyl-propanamide; ethanesulfonic acid
MOLECULAR FORMULA: C18H30N6O4S
MOLECULAR WEIGHT: 426.5336
SMILES: CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CCC(=O)N(C)C)N)N)C
Structure:
CAS RN: 27304-59-2
CAS Name: methanesulfonic acid (2-methylsulfonyloxycyclooctyl) ester
OPENEYE Name: (2-methylsulfonyloxycyclooctyl) methanesulfonate
IUPAC Name: (2-methylsulfonyloxycyclooctyl) methanesulfonate
SYSTEMATIC NAME: (2-methylsulfonyloxycyclooctyl) methanesulfonate
MOLECULAR FORMULA: C10H20O6S2
MOLECULAR WEIGHT: 300.3922
SMILES: CS(=O)(=O)OC1CCCCCCC1OS(=O)(=O)C
Structure:
CAS RN: 76570-08-6
CAS Name: (2,2-dioxo-3-oxathiolanyl)-diphenylmethanol
OPENEYE Name: (2,2-dioxooxathiolan-3-yl)-diphenyl-methanol
IUPAC Name: (2,2-dioxooxathiolan-3-yl)-diphenylmethanol
SYSTEMATIC NAME: [2,2-bis(oxidanylidene)-1,2-oxathiolan-3-yl]-diphenyl-methanol
MOLECULAR FORMULA: C16H16O4S
MOLECULAR WEIGHT: 304.36084
SMILES: C1COS(=O)(=O)C1C(C2=CC=CC=C2)(C3=CC=CC=C3)O
Structure:
CAS RN: 76568-68-8
CAS Name: 1-(2,2-dioxo-3-oxathiolanyl)-1-cyclohexanol
OPENEYE Name: 1-(2,2-dioxooxathiolan-3-yl)cyclohexanol
IUPAC Name: 1-(2,2-dioxooxathiolan-3-yl)cyclohexan-1-ol
SYSTEMATIC NAME: 1-[2,2-bis(oxidanylidene)-1,2-oxathiolan-3-yl]cyclohexan-1-ol
MOLECULAR FORMULA: C9H16O4S
MOLECULAR WEIGHT: 220.28594
SMILES: C1CCC(CC1)(C2CCOS2(=O)=O)O
Structure:
CAS RN: 24425-52-3
CAS Name: oxathiolane 2-oxide
OPENEYE Name: oxathiolane 2-oxide
IUPAC Name: oxathiolane 2-oxide
SYSTEMATIC NAME: 1,2-oxathiolane 2-oxide
MOLECULAR FORMULA: C3H6O2S
MOLECULAR WEIGHT: 106.14354
SMILES: C1COS(=O)C1
Structure:
CAS RN: 49756-87-8
CAS Name: 1-(methylamino)-1-cyclohexanecarboxamide
OPENEYE Name: 1-(methylamino)cyclohexanecarboxamide
IUPAC Name: 1-(methylamino)cyclohexane-1-carboxamide
SYSTEMATIC NAME: 1-(methylamino)cyclohexane-1-carboxamide
MOLECULAR FORMULA: C8H16N2O
MOLECULAR WEIGHT: 156.22544
SMILES: CNC1(CCCCC1)C(=O)N
Structure:
CAS RN: 31263-36-2
CAS Name: 3-dimethoxyphosphorylbicyclo[2.2.1]heptane
OPENEYE Name: 2-dimethoxyphosphorylnorbornane
IUPAC Name: 3-dimethoxyphosphorylbicyclo[2.2.1]heptane
SYSTEMATIC NAME: 3-dimethoxyphosphorylbicyclo[2.2.1]heptane
MOLECULAR FORMULA: C9H17O3P
MOLECULAR WEIGHT: 204.203241
SMILES: COP(=O)(C1CC2CCC1C2)OC
Structure:
CAS RN: 94903-88-5
CAS Name: (2,2-dimethyl-1,3-dioxolan-4-yl)-diphenylmethanol
OPENEYE Name: (2,2-dimethyl-1,3-dioxolan-4-yl)-diphenyl-methanol
IUPAC Name: (2,2-dimethyl-1,3-dioxolan-4-yl)-diphenylmethanol
SYSTEMATIC NAME: (2,2-dimethyl-1,3-dioxolan-4-yl)-diphenyl-methanol
MOLECULAR FORMULA: C18H20O3
MOLECULAR WEIGHT: 284.3496
SMILES: CC1(OCC(O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C
Structure:
CAS RN: 19279-81-3
CAS Name: 3-methylbutylsulfinylbenzene
OPENEYE Name: isopentylsulfinylbenzene
IUPAC Name: 3-methylbutylsulfinylbenzene
SYSTEMATIC NAME: 3-methylbutylsulfinylbenzene
MOLECULAR FORMULA: C11H16OS
MOLECULAR WEIGHT: 196.30914
SMILES: CC(C)CCS(=O)C1=CC=CC=C1
Structure:
CAS RN: 5873-11-0
CAS Name: 3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoic acid
OPENEYE Name: 3-hydroxy-2-(p-tolylsulfonylamino)propanoic acid
IUPAC Name: 3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoic acid
SYSTEMATIC NAME: 2-[(4-methylphenyl)sulfonylamino]-3-oxidanyl-propanoic acid
MOLECULAR FORMULA: C10H13NO5S
MOLECULAR WEIGHT: 259.27892
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(CO)C(=O)O
Structure:
CAS RN: 19685-84-8
CAS Name: 5-phenyl-3H-furan-2-one
OPENEYE Name: 5-phenyl-3H-furan-2-one
IUPAC Name: 5-phenyl-3H-furan-2-one
SYSTEMATIC NAME: 5-phenyl-3H-furan-2-one
MOLECULAR FORMULA: C10H8O2
MOLECULAR WEIGHT: 160.16932
SMILES: C1C=C(OC1=O)C2=CC=CC=C2
Structure:
CAS RN: 22247-81-0
CAS Name: 1,3-bis(dodeca-5,11-diynyl)urea
OPENEYE Name: 1,3-bis(dodeca-5,11-diynyl)urea
IUPAC Name: 1,3-bis(dodeca-5,11-diynyl)urea
SYSTEMATIC NAME: 1,3-bis(dodeca-5,11-diynyl)urea
MOLECULAR FORMULA: C25H36N2O
MOLECULAR WEIGHT: 380.56614
SMILES: C#CCCCCC#CCCCCNC(=O)NCCCCC#CCCCCC#C
Structure:
CAS RN: 945761-95-5
CAS Name: thiocyanic acid [2-chloro-3,5-dinitro-4-(thiocyanatomethyl)phenyl]methyl ester
OPENEYE Name: [2-chloro-3,5-dinitro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate
IUPAC Name: [2-chloro-3,5-dinitro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate
SYSTEMATIC NAME: [2-chloranyl-3,5-dinitro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate
MOLECULAR FORMULA: C10H5ClN4O4S2
MOLECULAR WEIGHT: 344.7541
SMILES: C1=C(C(=C(C(=C1[N+](=O)[O-])CSC#N)[N+](=O)[O-])Cl)CSC#N
Structure:
CAS RN: 472-96-8
CAS Name: octadeca-1,9,17-triyne
OPENEYE Name: octadeca-1,9,17-triyne
IUPAC Name: octadeca-1,9,17-triyne
SYSTEMATIC NAME: octadeca-1,9,17-triyne
MOLECULAR FORMULA: C18H26
MOLECULAR WEIGHT: 242.39904
SMILES: C#CCCCCCCC#CCCCCCCC#C
Structure:
CAS RN: 30937-82-7
CAS Name: 1-ethenylsulfonylheptane
OPENEYE Name: 1-vinylsulfonylheptane
IUPAC Name: 1-ethenylsulfonylheptane
SYSTEMATIC NAME: 1-ethenylsulfonylheptane
MOLECULAR FORMULA: C9H18O2S
MOLECULAR WEIGHT: 190.30302
SMILES: CCCCCCCS(=O)(=O)C=C
Structure:
CAS RN: 4671-09-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H7N3O
MOLECULAR WEIGHT: 221.21418
SMILES: C1=CC=C2C(=C1)C(=O)C3=C4N2N=NC4=CC=C3
Structure:
CAS RN: 32634-08-5
CAS Name: 1,3,5-trimethylthiopyran 1-oxide
OPENEYE Name: 1,3,5-trimethylthiopyran 1-oxide
IUPAC Name: 1,3,5-trimethylthiopyran 1-oxide
SYSTEMATIC NAME: 1,3,5-trimethylthiopyran 1-oxide
MOLECULAR FORMULA: C8H12OS
MOLECULAR WEIGHT: 156.24528
SMILES: CC1=CC(=CS(=C1)(=O)C)C
Structure:
CAS RN: 510-35-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H20O4
MOLECULAR WEIGHT: 264.3169
SMILES: CC1C2C(=O)C3(CCC2(C3CC1=O)C)C(C)C(=O)O
Structure:
CAS RN: 34167-05-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H20O4
MOLECULAR WEIGHT: 264.3169
SMILES: CC1C2C(=O)C3(CCC2(C3CC1=O)C)C(C)C(=O)O
Structure:
CAS RN: 14447-18-8
CAS Name: N-[3-(1-oxononylamino)propyl]nonanamide
OPENEYE Name: N-[3-(nonanoylamino)propyl]nonanamide
IUPAC Name: N-[3-(nonanoylamino)propyl]nonanamide
SYSTEMATIC NAME: N-[3-(nonanoylamino)propyl]nonanamide
MOLECULAR FORMULA: C21H42N2O2
MOLECULAR WEIGHT: 354.57038
SMILES: CCCCCCCCC(=O)NCCCNC(=O)CCCCCCCC
Structure:
CAS RN: 32831-01-9
CAS Name: 1-[3-(1-oxohexadecyl)-1,3-diazinan-1-yl]-1-hexadecanone
OPENEYE Name: 1-(3-hexadecanoylhexahydropyrimidin-1-yl)hexadecan-1-one
IUPAC Name: 1-(3-hexadecanoyl-1,3-diazinan-1-yl)hexadecan-1-one
SYSTEMATIC NAME: 1-(3-hexadecanoyl-1,3-diazinan-1-yl)hexadecan-1-one
MOLECULAR FORMULA: C36H70N2O2
MOLECULAR WEIGHT: 562.9532
SMILES: CCCCCCCCCCCCCCCC(=O)N1CCCN(C1)C(=O)CCCCCCCCCCCCCCC
Structure:
CAS RN: 32815-92-2
CAS Name: 1-[3-(1-oxodecyl)-1,3-diazinan-1-yl]-1-decanone
OPENEYE Name: 1-(3-decanoylhexahydropyrimidin-1-yl)decan-1-one
IUPAC Name: 1-(3-decanoyl-1,3-diazinan-1-yl)decan-1-one
SYSTEMATIC NAME: 1-(3-decanoyl-1,3-diazinan-1-yl)decan-1-one
MOLECULAR FORMULA: C24H46N2O2
MOLECULAR WEIGHT: 394.63424
SMILES: CCCCCCCCCC(=O)N1CCCN(C1)C(=O)CCCCCCCCC
Structure:
CAS RN: 32813-95-9
CAS Name: 1-[3-(1-oxooctyl)-1,3-diazinan-1-yl]-1-octanone
OPENEYE Name: 1-(3-octanoylhexahydropyrimidin-1-yl)octan-1-one
IUPAC Name: 1-(3-octanoyl-1,3-diazinan-1-yl)octan-1-one
SYSTEMATIC NAME: 1-(3-octanoyl-1,3-diazinan-1-yl)octan-1-one
MOLECULAR FORMULA: C20H38N2O2
MOLECULAR WEIGHT: 338.52792
SMILES: CCCCCCCC(=O)N1CCCN(C1)C(=O)CCCCCCC
Structure:
CAS RN: 32812-48-9
CAS Name: 1-[3-(1-oxoheptyl)-1-imidazolidinyl]-1-heptanone
OPENEYE Name: 1-(3-heptanoylimidazolidin-1-yl)heptan-1-one
IUPAC Name: 1-(3-heptanoylimidazolidin-1-yl)heptan-1-one
SYSTEMATIC NAME: 1-(3-heptanoylimidazolidin-1-yl)heptan-1-one
MOLECULAR FORMULA: C17H32N2O2
MOLECULAR WEIGHT: 296.44818
SMILES: CCCCCCC(=O)N1CCN(C1)C(=O)CCCCCC
Structure:
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