CAS RN: 188-84-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H18
MOLECULAR WEIGHT: 426.50672
SMILES: C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=C6C=CC7=CC8=CC=CC=C8C9=C7C6=C5C=C9)C=C3
Structure:
CAS RN: 183-97-1
CAS Name: 1,4,9,12-tetraoxadispiro[4.2.4^{8}.2^{5}]tetradecane
OPENEYE Name: 1,4,9,12-tetraoxadispiro[4.2.4^{8}.2^{5}]tetradecane
IUPAC Name: 1,4,9,12-tetraoxadispiro[4.2.4^{8}.2^{5}]tetradecane
SYSTEMATIC NAME: 1,4,9,12-tetraoxadispiro[4.2.4^{8}.2^{5}]tetradecane
MOLECULAR FORMULA: C10H16O4
MOLECULAR WEIGHT: 200.23164
SMILES: C1CC2(CCC13OCCO3)OCCO2
Structure:
CAS RN: 18855-17-9
CAS Name: 1,4,9,12-tetraoxadispiro[4.2.4^{8}.2^{5}]tetradecane
OPENEYE Name: 1,4,9,12-tetraoxadispiro[4.2.4^{8}.2^{5}]tetradecane
IUPAC Name: 1,4,9,12-tetraoxadispiro[4.2.4^{8}.2^{5}]tetradecane
SYSTEMATIC NAME: 1,4,9,12-tetraoxadispiro[4.2.4^{8}.2^{5}]tetradecane
MOLECULAR FORMULA: C10H16O4
MOLECULAR WEIGHT: 200.23164
SMILES: C1CC2(CCC13OCCO3)OCCO2
Structure:
CAS RN: 18434-12-3
CAS Name: 1,5,7,11-tetrathiaspiro[5.5]undecane
OPENEYE Name: 1,5,7,11-tetrathiaspiro[5.5]undecane
IUPAC Name: 1,5,7,11-tetrathiaspiro[5.5]undecane
SYSTEMATIC NAME: 1,5,7,11-tetrathiaspiro[5.5]undecane
MOLECULAR FORMULA: C7H12S4
MOLECULAR WEIGHT: 224.43018
SMILES: C1CSC2(SC1)SCCCS2
Structure:
CAS RN: 180-43-8
CAS Name: spiro[5.5]undecane
OPENEYE Name: spiro[5.5]undecane
IUPAC Name: spiro[5.5]undecane
SYSTEMATIC NAME: spiro[5.5]undecane
MOLECULAR FORMULA: C11H20
MOLECULAR WEIGHT: 152.2765
SMILES: C1CCC2(CC1)CCCCC2
Structure:
CAS RN: 176-63-6
CAS Name: spiro[4.5]decane
OPENEYE Name: spiro[4.5]decane
IUPAC Name: spiro[4.5]decane
SYSTEMATIC NAME: spiro[4.5]decane
MOLECULAR FORMULA: C10H18
MOLECULAR WEIGHT: 138.24992
SMILES: C1CCC2(CC1)CCCC2
Structure:
CAS RN: 175-56-4
CAS Name: spiro[3.4]octane
OPENEYE Name: spiro[3.4]octane
IUPAC Name: spiro[3.4]octane
SYSTEMATIC NAME: spiro[3.4]octane
MOLECULAR FORMULA: C8H14
MOLECULAR WEIGHT: 110.19676
SMILES: C1CCC2(C1)CCC2
Structure:
CAS RN: 174-73-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C7H10
MOLECULAR WEIGHT: 94.1543
SMILES: C1CC2CC23C1C3
Structure:
CAS RN: 173-89-7
CAS Name: spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]
OPENEYE Name: spiro[cyclopropane-1,7'-norbornane]
IUPAC Name: spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]
SYSTEMATIC NAME: spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]
MOLECULAR FORMULA: C9H14
MOLECULAR WEIGHT: 122.20746
SMILES: C1CC2CCC1C23CC3
Structure:
CAS RN: 165-42-4
CAS Name: 1,1'-spirobi[indene]
OPENEYE Name: 1,1'-spirobi[indene]
IUPAC Name: 1,1'-spirobi[indene]
SYSTEMATIC NAME: 1,1'-spirobi[indene]
MOLECULAR FORMULA: C17H12
MOLECULAR WEIGHT: 216.27718
SMILES: C1=CC=C2C(=C1)C=CC23C=CC4=CC=CC=C34
Structure:
CAS RN: 159-68-2
CAS Name: 5,5'-spirobi[benzo[b][1]benzosilole]
OPENEYE Name: 5,5'-spirobi[benzo[b][1]benzosilole]
IUPAC Name: 5,5'-spirobi[benzo[b][1]benzosilole]
SYSTEMATIC NAME: 5,5'-spirobi[benzo[b][1]benzosilole]
MOLECULAR FORMULA: C24H16Si
MOLECULAR WEIGHT: 332.46934
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3[Si]24C5=CC=CC=C5C6=CC=CC=C46
Structure:
CAS RN: 159-66-0
CAS Name: 9,9'-spirobi[fluorene]
OPENEYE Name: 9,9'-spirobi[fluorene]
IUPAC Name: 9,9'-spirobi[fluorene]
SYSTEMATIC NAME: 9,9'-spirobi[fluorene]
MOLECULAR FORMULA: C25H16
MOLECULAR WEIGHT: 316.39454
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C24C5=CC=CC=C5C6=CC=CC=C46
Structure:
CAS RN: 157-45-9
CAS Name: spiro[2.3]hexane
OPENEYE Name: spiro[2.3]hexane
IUPAC Name: spiro[2.3]hexane
SYSTEMATIC NAME: spiro[2.3]hexane
MOLECULAR FORMULA: C6H10
MOLECULAR WEIGHT: 82.1436
SMILES: C1CC2(C1)CC2
Structure:
CAS RN: 157-33-5
CAS Name: bicyclo[1.1.0]butane
OPENEYE Name: bicyclo[1.1.0]butane
IUPAC Name: bicyclo[1.1.0]butane
SYSTEMATIC NAME: bicyclo[1.1.0]butane
MOLECULAR FORMULA: C4H6
MOLECULAR WEIGHT: 54.09044
SMILES: C1C2C1C2
Structure:
CAS RN: 126-87-4
CAS Name: 4,7-dimethyl-5-decyne-4,7-diol
OPENEYE Name: 4,7-dimethyldec-5-yne-4,7-diol
IUPAC Name: 4,7-dimethyldec-5-yne-4,7-diol
SYSTEMATIC NAME: 4,7-dimethyldec-5-yne-4,7-diol
MOLECULAR FORMULA: C12H22O2
MOLECULAR WEIGHT: 198.30188
SMILES: CCCC(C)(C#CC(C)(CCC)O)O
Structure:
CAS RN: 123-80-8
CAS Name: propanoic acid 2-(1-oxopropoxy)ethyl ester
OPENEYE Name: 2-propanoyloxyethyl propanoate
IUPAC Name: 2-propanoyloxyethyl propanoate
SYSTEMATIC NAME: 2-propanoyloxyethyl propanoate
MOLECULAR FORMULA: C8H14O4
MOLECULAR WEIGHT: 174.19436
SMILES: CCC(=O)OCCOC(=O)CC
Structure:
CAS RN: 115-72-0
CAS Name: propane-1,2,2,3-tetracarboxylic acid O2-methyl ester O1,O2,O3-tris(prop-2-enyl) ester
OPENEYE Name: O1,O2,O3-triallyl O2-methyl propane-1,2,2,3-tetracarboxylate
IUPAC Name: 2-O-methyl 1-O,2-O,3-O-tris(prop-2-enyl) propane-1,2,2,3-tetracarboxylate
SYSTEMATIC NAME: O2-methyl O1,O2,O3-tris(prop-2-enyl) propane-1,2,2,3-tetracarboxylate
MOLECULAR FORMULA: C17H22O8
MOLECULAR WEIGHT: 354.35178
SMILES: COC(=O)C(CC(=O)OCC=C)(CC(=O)OCC=C)C(=O)OCC=C
Structure:
CAS RN: 92-46-6
CAS Name: 6-chloro-2-methylquinoline
OPENEYE Name: 6-chloro-2-methyl-quinoline
IUPAC Name: 6-chloro-2-methylquinoline
SYSTEMATIC NAME: 6-chloranyl-2-methyl-quinoline
MOLECULAR FORMULA: C10H8ClN
MOLECULAR WEIGHT: 177.63022
SMILES: CC1=NC2=C(C=C1)C=C(C=C2)Cl
Structure:
CAS RN: 90-53-9
CAS Name: 2-(2,3-dimethoxyphenyl)acetic acid
OPENEYE Name: 2-(2,3-dimethoxyphenyl)acetic acid
IUPAC Name: 2-(2,3-dimethoxyphenyl)acetic acid
SYSTEMATIC NAME: 2-(2,3-dimethoxyphenyl)ethanoic acid
MOLECULAR FORMULA: C10H12O4
MOLECULAR WEIGHT: 196.19988
SMILES: COC1=CC=CC(=C1OC)CC(=O)O
Structure:
CAS RN: 96695-57-7
CAS Name: 2-(2,3-dimethoxyphenyl)acetic acid
OPENEYE Name: 2-(2,3-dimethoxyphenyl)acetic acid
IUPAC Name: 2-(2,3-dimethoxyphenyl)acetic acid
SYSTEMATIC NAME: 2-(2,3-dimethoxyphenyl)ethanoic acid
MOLECULAR FORMULA: C10H12O4
MOLECULAR WEIGHT: 196.19988
SMILES: COC1=CC=CC(=C1OC)CC(=O)O
Structure:
CAS RN: 90-10-8
CAS Name: N-methyl-N-phenylbenzenesulfonamide
OPENEYE Name: N-methyl-N-phenyl-benzenesulfonamide
IUPAC Name: N-methyl-N-phenylbenzenesulfonamide
SYSTEMATIC NAME: N-methyl-N-phenyl-benzenesulfonamide
MOLECULAR FORMULA: C13H13NO2S
MOLECULAR WEIGHT: 247.31282
SMILES: CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2
Structure:
CAS RN: 1150-42-1
CAS Name: 7,9-dimethoxy-1,2-dihydrocyclopenta[c][1]benzopyran-3,4-dione
OPENEYE Name: 7,9-dimethoxy-1,2-dihydrocyclopenta[c]chromene-3,4-dione
IUPAC Name: 7,9-dimethoxy-1,2-dihydrocyclopenta[c]chromene-3,4-dione
SYSTEMATIC NAME: 7,9-dimethoxy-1,2-dihydrocyclopenta[c]chromene-3,4-dione
MOLECULAR FORMULA: C14H12O5
MOLECULAR WEIGHT: 260.24208
SMILES: COC1=CC(=C2C3=C(C(=O)CC3)C(=O)OC2=C1)OC
Structure:
CAS RN: 1126-76-7
CAS Name: 2-(2-phenylethyl)oxirane
OPENEYE Name: 2-(2-phenylethyl)oxirane
IUPAC Name: 2-(2-phenylethyl)oxirane
SYSTEMATIC NAME: 2-(2-phenylethyl)oxirane
MOLECULAR FORMULA: C10H12O
MOLECULAR WEIGHT: 148.20168
SMILES: C1C(O1)CCC2=CC=CC=C2
Structure:
CAS RN: 109480-69-5
CAS Name: 1-(5-acetyl-4,6-dimethyl-1,4-dihydropyridin-3-yl)ethanone
OPENEYE Name: 1-(5-acetyl-4,6-dimethyl-1,4-dihydropyridin-3-yl)ethanone
IUPAC Name: 1-(5-acetyl-4,6-dimethyl-1,4-dihydropyridin-3-yl)ethanone
SYSTEMATIC NAME: 1-(5-ethanoyl-4,6-dimethyl-1,4-dihydropyridin-3-yl)ethanone
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: CC1C(=CNC(=C1C(=O)C)C)C(=O)C
Structure:
CAS RN: 1028-11-1
CAS Name: N-nitro-N-(2-pyridinyl)benzenesulfonamide
OPENEYE Name: N-nitro-N-(2-pyridyl)benzenesulfonamide
IUPAC Name: N-nitro-N-pyridin-2-ylbenzenesulfonamide
SYSTEMATIC NAME: N-nitro-N-pyridin-2-yl-benzenesulfonamide
MOLECULAR FORMULA: C11H9N3O4S
MOLECULAR WEIGHT: 279.27186
SMILES: C1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC=N2)[N+](=O)[O-]
Structure:
CAS RN: 87532-76-1
CAS Name: 3-hydroxy-1-methyl-3-phenyl-2-piperidinone
OPENEYE Name: 3-hydroxy-1-methyl-3-phenyl-piperidin-2-one
IUPAC Name: 3-hydroxy-1-methyl-3-phenylpiperidin-2-one
SYSTEMATIC NAME: 1-methyl-3-oxidanyl-3-phenyl-piperidin-2-one
MOLECULAR FORMULA: C12H15NO2
MOLECULAR WEIGHT: 205.253
SMILES: CN1CCCC(C1=O)(C2=CC=CC=C2)O
Structure:
CAS RN: 87519-84-4
CAS Name: (6S,10bR)-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
OPENEYE Name: (6S,10bR)-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
IUPAC Name: (6S,10bR)-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
SYSTEMATIC NAME: (6S,10bR)-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
MOLECULAR FORMULA: C18H19N
MOLECULAR WEIGHT: 249.35016
SMILES: C1C[C@@H]2C3=CC=CC=C3[C@@H](CN2C1)C4=CC=CC=C4
Structure:
CAS RN: 87508-45-0
CAS Name: 4-[(5R)-5-(hydroxymethyl)-2-oxo-3-oxazolidinyl]benzenesulfonamide
OPENEYE Name: 4-[(5R)-5-(hydroxymethyl)-2-oxo-oxazolidin-3-yl]benzenesulfonamide
IUPAC Name: 4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide
SYSTEMATIC NAME: 4-[(5R)-5-(hydroxymethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]benzenesulfonamide
MOLECULAR FORMULA: C10H12N2O5S
MOLECULAR WEIGHT: 272.27768
SMILES: C1[C@@H](OC(=O)N1C2=CC=C(C=C2)S(=O)(=O)N)CO
Structure:
CAS RN: 87498-80-4
CAS Name: [(1S)-1-carboxy-3-(methylthio)propyl]-[3-[[(1S)-1-carboxy-3-(methylthio)propyl]amino]-1,3-dioxopropyl]-bis(4-nitrophenyl)ammonium
OPENEYE Name: [(1S)-1-carboxy-3-methylsulfanyl-propyl]-[3-[[(1S)-1-carboxy-3-methylsulfanyl-propyl]amino]-3-oxo-propanoyl]-bis(4-nitrophenyl)ammonium
IUPAC Name: [(1S)-1-carboxy-3-methylsulfanylpropyl]-[3-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-3-oxopropanoyl]-bis(4-nitrophenyl)azanium
SYSTEMATIC NAME: [(2S)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]-[3-[[(2S)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propanoyl]-bis(4-nitrophenyl)azanium
MOLECULAR FORMULA: C25H29N4O10S2+
MOLECULAR WEIGHT: 609.64856
SMILES: CSCC[C@@H](C(=O)O)NC(=O)CC(=O)[N+](C1=CC=C(C=C1)[N+](=O)[O-])(C2=CC=C(C=C2)[N+](=O)[O-])[C@@H](CCSC)C(=O)O
Structure:
CAS RN: 87498-79-1
CAS Name: [(1S)-1-carboxy-3-(methylthio)propyl]-[2-[[(1S)-1-carboxy-3-(methylthio)propyl]amino]-1,2-dioxoethyl]-bis(4-nitrophenyl)ammonium
OPENEYE Name: [(1S)-1-carboxy-3-methylsulfanyl-propyl]-[2-[[(1S)-1-carboxy-3-methylsulfanyl-propyl]amino]-2-oxo-acetyl]-bis(4-nitrophenyl)ammonium
IUPAC Name: [(1S)-1-carboxy-3-methylsulfanylpropyl]-[2-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-2-oxoacetyl]-bis(4-nitrophenyl)azanium
SYSTEMATIC NAME: [(2S)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]-[2-[[(2S)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethanoyl]-bis(4-nitrophenyl)azanium
MOLECULAR FORMULA: C24H27N4O10S2+
MOLECULAR WEIGHT: 595.62198
SMILES: CSCC[C@@H](C(=O)O)NC(=O)C(=O)[N+](C1=CC=C(C=C1)[N+](=O)[O-])(C2=CC=C(C=C2)[N+](=O)[O-])[C@@H](CCSC)C(=O)O
Structure:
CAS RN: 87495-27-0
CAS Name: zinc; 4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol; 3-pyridinecarboxylic acid [(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl] ester; sulfate
OPENEYE Name: zinc; 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; [(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl] pyridine-3-carboxylate; sulfate
IUPAC Name: zinc; 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol; [(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl] pyridine-3-carboxylate; sulfate
SYSTEMATIC NAME: zinc; 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; [(2R)-2-[(1S)-1,2-bis(oxidanyl)ethyl]-4-oxidanyl-5-oxidanylidene-2H-furan-3-yl] pyridine-3-carboxylate; sulfate
MOLECULAR FORMULA: C20H22N2O14SZn
MOLECULAR WEIGHT: 611.86768
SMILES: CC1=NC=C(C(=C1O)CO)CO.C1=CC(=CN=C1)C(=O)OC2=C(C(=O)O[C@@H]2[C@H](CO)O)O.[O-]S(=O)(=O)[O-].[Zn+2]
Structure:
CAS RN: 87494-17-5
CAS Name: (2S)-2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-3-hydroxy-1-oxopropyl]amino]-3-phenylpropanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxy-propanoyl]amino]-3-phenyl-propanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-(2-azanylethanoylamino)-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C14H19N3O5
MOLECULAR WEIGHT: 309.31776
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)CN
Structure:
CAS RN: 87494-16-4
CAS Name: 2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]acetic acid
OPENEYE Name: 2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxy-propanoyl]amino]acetic acid
IUPAC Name: 2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoic acid
MOLECULAR FORMULA: C8H15N3O5
MOLECULAR WEIGHT: 233.2218
SMILES: C[C@@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)O)N
Structure:
CAS RN: 87494-15-3
CAS Name: (2S)-2-amino-6-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]hexanoic acid
OPENEYE Name: (2S)-2-amino-6-[[2-chloroethyl(nitroso)carbamoyl]amino]hexanoic acid
IUPAC Name: (2S)-2-amino-6-[[2-chloroethyl(nitroso)carbamoyl]amino]hexanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-6-[[2-chloroethyl(nitroso)carbamoyl]amino]hexanoic acid
MOLECULAR FORMULA: C9H17ClN4O4
MOLECULAR WEIGHT: 280.70868
SMILES: C(CCNC(=O)N(CCCl)N=O)C[C@@H](C(=O)O)N
Structure:
CAS RN: 93632-33-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24N2O3
MOLECULAR WEIGHT: 340.41616
SMILES: CN1CCC23[C@H]4C5(C=CC2(C1CC6=C3C(=C(C=C6)O)O4)C[C@H]5N)OC
Structure:
CAS RN: 87427-25-6
CAS Name: 2-(2,3,3-triiodoprop-2-enyl)tetrazole
OPENEYE Name: 2-(2,3,3-triiodoallyl)tetrazole
IUPAC Name: 2-(2,3,3-triiodoprop-2-enyl)tetrazole
SYSTEMATIC NAME: 2-[2,3,3-tris(iodanyl)prop-2-enyl]-1,2,3,4-tetrazole
MOLECULAR FORMULA: C4H3I3N4
MOLECULAR WEIGHT: 487.80683
SMILES: C1=NN(N=N1)CC(=C(I)I)I
Structure:
CAS RN: 87420-41-5
CAS Name: (2R)-3-[2,3-bis(1-oxohexadecoxy)propylthio]-2-(1-oxohexadecylamino)propanoic acid
OPENEYE Name: (2R)-3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-(hexadecanoylamino)propanoic acid
IUPAC Name: (2R)-3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-(hexadecanoylamino)propanoic acid
SYSTEMATIC NAME: (2R)-3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-(hexadecanoylamino)propanoic acid
MOLECULAR FORMULA: C54H103NO7S
MOLECULAR WEIGHT: 910.46312
SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](CSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)O
Structure:
CAS RN: 87405-61-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H12F3N
MOLECULAR WEIGHT: 227.22559
SMILES: C1CC2C(C1C3=C2C=C(C=C3)C(F)(F)F)N
Structure:
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