CAS RN: 54831-91-3
CAS Name: ethane-1,2-diamine; 1,10-phenanthroline; platinum(2+)
OPENEYE Name: ethane-1,2-diamine; 1,10-phenanthroline; platinum(2+)
IUPAC Name: ethane-1,2-diamine; 1,10-phenanthroline; platinum(2+)
SYSTEMATIC NAME: ethane-1,2-diamine; 1,10-phenanthroline; platinum(2+)
MOLECULAR FORMULA: C14H16N4Pt+2
MOLECULAR WEIGHT: 435.38164
SMILES: C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C(CN)N.[Pt+2]
Structure:
CAS RN: 54797-78-3
CAS Name: hexane-1,6-diol; isobenzofuran-1,3-dione
OPENEYE Name: hexane-1,6-diol; isobenzofuran-1,3-dione
IUPAC Name: 2-benzofuran-1,3-dione; hexane-1,6-diol
SYSTEMATIC NAME: 2-benzofuran-1,3-dione; hexane-1,6-diol
MOLECULAR FORMULA: C14H18O5
MOLECULAR WEIGHT: 266.28972
SMILES: C1=CC=C2C(=C1)C(=O)OC2=O.C(CCCO)CCO
Structure:
CAS RN: 66023-94-7
CAS Name: 1-[(2-amino-1-oxopropyl)amino]ethylphosphonic acid
OPENEYE Name: 1-(2-aminopropanoylamino)ethylphosphonic acid
IUPAC Name: 1-(2-aminopropanoylamino)ethylphosphonic acid
SYSTEMATIC NAME: 1-(2-azanylpropanoylamino)ethylphosphonic acid
MOLECULAR FORMULA: C5H13N2O4P
MOLECULAR WEIGHT: 196.141481
SMILES: CC(C(=O)NC(C)P(=O)(O)O)N
Structure:
CAS RN: 54758-28-0
CAS Name: (2R,3R,4S,5R)-5-[[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-amino-1-pyridin-1-iumyl)-4-hydroxy-3-oxolanolate
OPENEYE Name: (2R,3R,4S,5R)-5-[[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-2-(3-aminopyridin-1-ium-1-yl)-4-hydroxy-tetrahydrofuran-3-olate
IUPAC Name: (2R,3R,4S,5R)-5-[[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-aminopyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate
SYSTEMATIC NAME: (2R,3R,4S,5R)-5-[[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-oxidanyl-5-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-(3-azanylpyridin-1-ium-1-yl)-4-oxidanyl-oxolan-3-olate
MOLECULAR FORMULA: C20H28N7O16P3
MOLECULAR WEIGHT: 715.394903
SMILES: C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O[C@@H]3[C@@H]([C@H](O[C@H]3N4C=NC5=C4N=CN=C5N)COP(=O)(O)OP(=O)(O)O)O)O)[O-])N
Structure:
CAS RN: 54749-86-9
CAS Name: 4-butyl-1,2-diphenylpyrazolidine-3,5-dione; 4,5-dihydrothiazol-2-amine
OPENEYE Name: 4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione; 4,5-dihydrothiazol-2-amine
IUPAC Name: 4-butyl-1,2-diphenylpyrazolidine-3,5-dione; 4,5-dihydro-1,3-thiazol-2-amine
SYSTEMATIC NAME: 4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione; 4,5-dihydro-1,3-thiazol-2-amine
MOLECULAR FORMULA: C22H26N4O2S
MOLECULAR WEIGHT: 410.53244
SMILES: CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.C1CSC(=N1)N
Structure:
CAS RN: 54708-68-8
CAS Name: 1-(3-chlorophenyl)-5-methoxy-N-methyl-3-pyrazolecarboxamide
OPENEYE Name: 1-(3-chlorophenyl)-5-methoxy-N-methyl-pyrazole-3-carboxamide
IUPAC Name: 1-(3-chlorophenyl)-5-methoxy-N-methylpyrazole-3-carboxamide
SYSTEMATIC NAME: 1-(3-chlorophenyl)-5-methoxy-N-methyl-pyrazole-3-carboxamide
MOLECULAR FORMULA: C12H12ClN3O2
MOLECULAR WEIGHT: 265.69558
SMILES: CNC(=O)C1=NN(C(=C1)OC)C2=CC(=CC=C2)Cl
Structure:
CAS RN: 54708-52-0
CAS Name: 1-(3-chlorophenyl)-5-methoxy-3-pyrazolecarboxamide
OPENEYE Name: 1-(3-chlorophenyl)-5-methoxy-pyrazole-3-carboxamide
IUPAC Name: 1-(3-chlorophenyl)-5-methoxypyrazole-3-carboxamide
SYSTEMATIC NAME: 1-(3-chlorophenyl)-5-methoxy-pyrazole-3-carboxamide
MOLECULAR FORMULA: C11H10ClN3O2
MOLECULAR WEIGHT: 251.669
SMILES: COC1=CC(=NN1C2=CC(=CC=C2)Cl)C(=O)N
Structure:
CAS RN: 54692-77-2
CAS Name: 2-methyloxirane; oxirane; 4-phenylphenol
OPENEYE Name: 2-methyloxirane; oxirane; 4-phenylphenol
IUPAC Name: 2-methyloxirane; oxirane; 4-phenylphenol
SYSTEMATIC NAME: 2-methyloxirane; oxirane; 4-phenylphenol
MOLECULAR FORMULA: C17H20O3
MOLECULAR WEIGHT: 272.3389
SMILES: CC1CO1.C1CO1.C1=CC=C(C=C1)C2=CC=C(C=C2)O
Structure:
CAS RN: 54682-75-6
CAS Name: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
OPENEYE Name: adipic acid; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane; isophthalic acid
IUPAC Name: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
SYSTEMATIC NAME: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
MOLECULAR FORMULA: C40H64N2O15
MOLECULAR WEIGHT: 812.94056
SMILES: CCC(CO)(CO)CO.CC(C)(CO)CO.C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCC(=O)O)CC(=O)O
Structure:
CAS RN: 54682-74-5
CAS Name: 2-(1-aziridinyl)ethanol; benzene-1,3-dicarboxylic acid; decanedioic acid; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol
OPENEYE Name: 2-(aziridin-1-yl)ethanol; decanedioic acid; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; isophthalic acid
IUPAC Name: 2-(aziridin-1-yl)ethanol; benzene-1,3-dicarboxylic acid; decanedioic acid; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol
SYSTEMATIC NAME: 2-(aziridin-1-yl)ethanol; benzene-1,3-dicarboxylic acid; decanedioic acid; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol
MOLECULAR FORMULA: C33H59NO14
MOLECULAR WEIGHT: 693.81986
SMILES: CCC(CO)(CO)CO.CC(C)(CO)CO.C1CN1CCO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCCCC(=O)O)CCCC(=O)O
Structure:
CAS RN: 54661-82-4
CAS Name: (2S,5R,6R)-6-[[2-[[[[2-furanyl(oxo)methyl]amino]-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,5R,6R)-6-[[2-(furan-2-carbonylcarbamoylamino)-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,5R,6R)-6-[[2-(furan-2-carbonylcarbamoylamino)-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-6-[[2-(furan-2-ylcarbonylcarbamoylamino)-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C22H22N4O7S
MOLECULAR WEIGHT: 486.49768
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)NC(=O)C4=CC=CO4)C(=O)O)C
Structure:
CAS RN: 54651-06-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C52H85N7O16
MOLECULAR WEIGHT: 1064.2686
SMILES: CCCCCCCCCCCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(C(CN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(C)O)C)O)O)O
Structure:
CAS RN: 54632-04-1
CAS Name: [(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol
OPENEYE Name: [(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylene-decalin-1-yl]methanol
IUPAC Name: [(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol
SYSTEMATIC NAME: [(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol
MOLECULAR FORMULA: C15H26O
MOLECULAR WEIGHT: 222.36634
SMILES: C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2CO)(C)C
Structure:
CAS RN: 54626-91-4
CAS Name: acetic acid ethenyl ester; ethenol; 2-methyl-2-propenoic acid methyl ester
OPENEYE Name: ethenol; methyl 2-methylprop-2-enoate; vinyl acetate
IUPAC Name: ethenol; ethenyl acetate; methyl 2-methylprop-2-enoate
SYSTEMATIC NAME: ethenol; ethenyl ethanoate; methyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C11H18O5
MOLECULAR WEIGHT: 230.25762
SMILES: CC(=C)C(=O)OC.CC(=O)OC=C.C=CO
Structure:
CAS RN: 54579-45-2
CAS Name: acetic acid ethenyl ester; 2-propenoic acid; 2-propenoic acid ethyl ester; 2-propenoic acid 2-ethylhexyl ester
OPENEYE Name: acrylic acid; 2-ethylhexyl prop-2-enoate; ethyl prop-2-enoate; vinyl acetate
IUPAC Name: ethenyl acetate; 2-ethylhexyl prop-2-enoate; ethyl prop-2-enoate; prop-2-enoic acid
SYSTEMATIC NAME: ethenyl ethanoate; 2-ethylhexyl prop-2-enoate; ethyl prop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C23H38O8
MOLECULAR WEIGHT: 442.54302
SMILES: CCCCC(CC)COC(=O)C=C.CCOC(=O)C=C.CC(=O)OC=C.C=CC(=O)O
Structure:
CAS RN: 54576-53-3
CAS Name: antimony(3+); nickel(2+); oxygen(2-); titanium(4+)
OPENEYE Name: nickelous; antimony(3+); oxygen(2-); titanium(4+)
IUPAC Name: antimony(3+); nickel(2+); oxygen(2-); titanium(4+)
SYSTEMATIC NAME: antimony(3+); nickel(2+); oxygen(2-); titanium(4+)
MOLECULAR FORMULA: NiOSbTi+7
MOLECULAR WEIGHT: 244.3198
SMILES: [O-2].[Ti+4].[Ni+2].[Sb+3]
Structure:
CAS RN: 73892-02-1
CAS Name: antimony(3+); nickel(2+); oxygen(2-); titanium(4+)
OPENEYE Name: nickelous; antimony(3+); oxygen(2-); titanium(4+)
IUPAC Name: antimony(3+); nickel(2+); oxygen(2-); titanium(4+)
SYSTEMATIC NAME: antimony(3+); nickel(2+); oxygen(2-); titanium(4+)
MOLECULAR FORMULA: NiOSbTi+7
MOLECULAR WEIGHT: 244.3198
SMILES: [O-2].[Ti+4].[Ni+2].[Sb+3]
Structure:
CAS RN: 54549-27-8
CAS Name: (3R,4S,5S,6R)-2-hexadecoxy-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (3R,4S,5S,6R)-2-hexadecoxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (3R,4S,5S,6R)-2-hexadecoxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (3R,4S,5S,6R)-2-hexadecoxy-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C22H44O6
MOLECULAR WEIGHT: 404.58116
SMILES: CCCCCCCCCCCCCCCCOC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Structure:
CAS RN: 41444-54-6
CAS Name: (3R,4S,5S,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (3R,4S,5S,6R)-2-hexoxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (3R,4S,5S,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (3R,4S,5S,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C12H24O6
MOLECULAR WEIGHT: 264.31536
SMILES: CCCCCCOC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Structure:
CAS RN: 54549-24-5
CAS Name: (3R,4S,5S,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (3R,4S,5S,6R)-2-hexoxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (3R,4S,5S,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (3R,4S,5S,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C12H24O6
MOLECULAR WEIGHT: 264.31536
SMILES: CCCCCCOC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Structure:
CAS RN: 95531-17-2
CAS Name: (3R,4S,5S,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (3R,4S,5S,6R)-2-hexoxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (3R,4S,5S,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (3R,4S,5S,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C12H24O6
MOLECULAR WEIGHT: 264.31536
SMILES: CCCCCCOC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Structure:
CAS RN: 54546-19-9
CAS Name: 6-ethyl-5-methylphenanthridin-5-ium-3,8-diamine bromide
OPENEYE Name: 6-ethyl-5-methyl-phenanthridin-5-ium-3,8-diamine bromide
IUPAC Name: 6-ethyl-5-methylphenanthridin-5-ium-3,8-diamine bromide
SYSTEMATIC NAME: 6-ethyl-5-methyl-phenanthridin-5-ium-3,8-diamine bromide
MOLECULAR FORMULA: C16H18BrN3
MOLECULAR WEIGHT: 332.23822
SMILES: CCC1=C2C=C(C=CC2=C3C=CC(=CC3=[N+]1C)N)N.[Br-]
Structure:
CAS RN: 93929-95-4
CAS Name: but-2-enedioic acid; (2-chlorophenyl)-[2-[2-(diethylaminomethyl)-1-imidazolyl]-5-nitrophenyl]methanone
OPENEYE Name: but-2-enedioic acid; (2-chlorophenyl)-[2-[2-(diethylaminomethyl)imidazol-1-yl]-5-nitro-phenyl]methanone
IUPAC Name: but-2-enedioic acid; (2-chlorophenyl)-[2-[2-(diethylaminomethyl)imidazol-1-yl]-5-nitrophenyl]methanone
SYSTEMATIC NAME: but-2-enedioic acid; (2-chlorophenyl)-[2-[2-(diethylaminomethyl)imidazol-1-yl]-5-nitro-phenyl]methanone
MOLECULAR FORMULA: C25H25ClN4O7
MOLECULAR WEIGHT: 528.9416
SMILES: CCN(CC)CC1=NC=CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3Cl.C(=CC(=O)O)C(=O)O
Structure:
CAS RN: 54532-46-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H54N10O11S
MOLECULAR WEIGHT: 870.97146
SMILES: CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CCCN4C(=O)C(NC2=O)CC(=O)N)C(C)CC)C5=C(N3)C=C(C=C5)O
Structure:
CAS RN: 54532-45-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H53N9O13S
MOLECULAR WEIGHT: 887.95562
SMILES: CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)O)O)C(C)CC)C5=C(N3)C=C(C=C5)O
Structure:
CAS RN: 54522-53-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C52H86O23
MOLECULAR WEIGHT: 1079.22544
SMILES: C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6C([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](
Structure:
CAS RN: 54522-52-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C52H86O22
MOLECULAR WEIGHT: 1063.22604
SMILES: C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6C([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](
Structure:
CAS RN: 54402-50-5
CAS Name: 4-(5,6-dimethyl-2-benzofuranyl)piperidine
OPENEYE Name: 4-(5,6-dimethylbenzofuran-2-yl)piperidine
IUPAC Name: 4-(5,6-dimethyl-1-benzofuran-2-yl)piperidine
SYSTEMATIC NAME: 4-(5,6-dimethyl-1-benzofuran-2-yl)piperidine
MOLECULAR FORMULA: C15H19NO
MOLECULAR WEIGHT: 229.31746
SMILES: CC1=C(C=C2C(=C1)C=C(O2)C3CCNCC3)C
Structure:
CAS RN: 54392-27-7
CAS Name: 16-methylheptadecanoic acid [(3S,4R,5R)-5-[(1R)-2-hydroxy-1-(16-methyl-1-oxoheptadecoxy)ethyl]-4-(16-methyl-1-oxoheptadecoxy)-3-oxolanyl] ester
OPENEYE Name: [(3S,4R,5R)-5-[(1R)-2-hydroxy-1-(16-methylheptadecanoyloxy)ethyl]-4-(16-methylheptadecanoyloxy)tetrahydrofuran-3-yl] 16-methylheptadecanoate
IUPAC Name: [(3S,4R,5R)-5-[(1R)-2-hydroxy-1-(16-methylheptadecanoyloxy)ethyl]-4-(16-methylheptadecanoyloxy)oxolan-3-yl] 16-methylheptadecanoate
SYSTEMATIC NAME: [(3S,4R,5R)-4-(16-methylheptadecanoyloxy)-5-[(1R)-1-(16-methylheptadecanoyloxy)-2-oxidanyl-ethyl]oxolan-3-yl] 16-methylheptadecanoate
MOLECULAR FORMULA: C60H114O8
MOLECULAR WEIGHT: 963.54236
SMILES: CC(C)CCCCCCCCCCCCCCC(=O)O[C@H]1CO[C@@H]([C@@H]1OC(=O)CCCCCCCCCCCCCCC(C)C)[C@@H](CO)OC(=O)CCCCCCCCCCCCCCC(C)C
Structure:
CAS RN: 54390-94-2
CAS Name: 2-cyclobutyl-2-hydroxy-2-phenylacetic acid (1-methyl-4-piperidinyl) ester
OPENEYE Name: (1-methyl-4-piperidyl) 2-cyclobutyl-2-hydroxy-2-phenyl-acetate
IUPAC Name: (1-methylpiperidin-4-yl) 2-cyclobutyl-2-hydroxy-2-phenylacetate
SYSTEMATIC NAME: (1-methylpiperidin-4-yl) 2-cyclobutyl-2-oxidanyl-2-phenyl-ethanoate
MOLECULAR FORMULA: C18H25NO3
MOLECULAR WEIGHT: 303.396
SMILES: CN1CCC(CC1)OC(=O)C(C2CCC2)(C3=CC=CC=C3)O
Structure:
CAS RN: 54384-23-5
CAS Name: 4-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
OPENEYE Name: 4-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
IUPAC Name: 4-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
SYSTEMATIC NAME: 4-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
MOLECULAR FORMULA: C9H12O5
MOLECULAR WEIGHT: 200.18858
SMILES: CC12CCC(O1)C(C2C(=O)O)C(=O)O
Structure:
CAS RN: 54374-88-8
CAS Name: dimethyl-nonyl-(phenylmethyl)ammonium
OPENEYE Name: benzyl-dimethyl-nonyl-ammonium
IUPAC Name: benzyl-dimethyl-nonylazanium
SYSTEMATIC NAME: dimethyl-nonyl-(phenylmethyl)azanium
MOLECULAR FORMULA: C18H32N+
MOLECULAR WEIGHT: 262.45338
SMILES: CCCCCCCCC[N+](C)(C)CC1=CC=CC=C1
Structure:
CAS RN: 54344-61-5
CAS Name: 3,6,10,10-tetramethyl-4-oxaspiro[4.5]deca-1,6-diene
OPENEYE Name: 3,6,10,10-tetramethyl-4-oxaspiro[4.5]deca-1,6-diene
IUPAC Name: 3,6,10,10-tetramethyl-4-oxaspiro[4.5]deca-1,6-diene
SYSTEMATIC NAME: 3,6,10,10-tetramethyl-4-oxaspiro[4.5]deca-1,6-diene
MOLECULAR FORMULA: C13H20O
MOLECULAR WEIGHT: 192.2973
SMILES: CC1C=CC2(O1)C(=CCCC2(C)C)C
Structure:
CAS RN: 54322-38-2
CAS Name: 4-methyl-7-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-1-benzopyran-2-one
OPENEYE Name: 4-methyl-7-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-2-one
IUPAC Name: 4-methyl-7-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-2-one
SYSTEMATIC NAME: 4-methyl-7-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-chromen-2-one
MOLECULAR FORMULA: C16H18O7
MOLECULAR WEIGHT: 322.30992
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC2=CC3=C(C=C2)C(=CC(=O)O3)C)O)O)O
Structure:
CAS RN: 54289-82-6
CAS Name: 3-(4-hydroxybutan-2-yloxy)-1-butanol
OPENEYE Name: 3-(3-hydroxy-1-methyl-propoxy)butan-1-ol
IUPAC Name: 3-(4-hydroxybutan-2-yloxy)butan-1-ol
SYSTEMATIC NAME: 3-(4-oxidanylbutan-2-yloxy)butan-1-ol
MOLECULAR FORMULA: C8H18O3
MOLECULAR WEIGHT: 162.22672
SMILES: CC(CCO)OC(C)CCO
Structure:
CAS RN: 54278-79-4
CAS Name: 2-ethoxy-3-hydroxy-2-methylpropanoic acid [9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] ester
OPENEYE Name: [9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-ethoxy-3-hydroxy-2-methyl-propanoate
IUPAC Name: [9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-ethoxy-3-hydroxy-2-methylpropanoate
SYSTEMATIC NAME: [9-(chloromethyl)-3,6-dimethylidene-8,9-bis(oxidanyl)-2-oxidanylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-ethoxy-2-methyl-3-oxidanyl-propanoate
MOLECULAR FORMULA: C21H29ClO8
MOLECULAR WEIGHT: 444.90316
SMILES: CCOC(C)(CO)C(=O)OC1CC(=C)C2CC(C(C2C3C1C(=C)C(=O)O3)(CCl)O)O
Structure:
CAS RN: 54272-30-9
CAS Name: N,N-dimethylmethanamine; sulfuric acid
OPENEYE Name: N,N-dimethylmethanamine; sulfuric acid
IUPAC Name: N,N-dimethylmethanamine; sulfuric acid
SYSTEMATIC NAME: N,N-dimethylmethanamine; sulfuric acid
MOLECULAR FORMULA: C3H11NO4S
MOLECULAR WEIGHT: 157.18874
SMILES: CN(C)C.OS(=O)(=O)O
Structure:
No comments:
Post a Comment