CAS RN: 42846-91-3
CAS Name: 5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-isobutylhexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C8H12N2O3
MOLECULAR WEIGHT: 184.19248
SMILES: CC(C)CC1C(=O)NC(=O)NC1=O
Structure:
CAS RN: 42846-12-8
CAS Name: 2-methyl-2-propenoic acid 2-(1-aziridinyl)ethyl ester; 2-methyl-2-propenoic acid butyl ester; 2-methyl-2-propenoic acid methyl ester
OPENEYE Name: 2-(aziridin-1-yl)ethyl 2-methylprop-2-enoate; butyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate
IUPAC Name: 2-(aziridin-1-yl)ethyl 2-methylprop-2-enoate; butyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2-(aziridin-1-yl)ethyl 2-methylprop-2-enoate; butyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C21H35NO6
MOLECULAR WEIGHT: 397.5057
SMILES: CCCCOC(=O)C(=C)C.CC(=C)C(=O)OC.CC(=C)C(=O)OCCN1CC1
Structure:
CAS RN: 242802-21-7
CAS Name: nickel(2+); 1-[[6-[(2-oxido-1-naphthalenyl)methylideneamino]-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]-2-naphthalenolate
OPENEYE Name: nickelous 1-[[6-[(2-oxido-1-naphthyl)methyleneamino]-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]naphthalen-2-olate
IUPAC Name: nickel(2+); 1-[[6-[(2-oxidonaphthalen-1-yl)methylideneamino]-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]naphthalen-2-olate
SYSTEMATIC NAME: nickel(2+); 1-[[6-[(2-oxidanidylnaphthalen-1-yl)methylideneamino]-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl]iminomethyl]naphthalen-2-olate
MOLECULAR FORMULA: C29H18N4NiO3
MOLECULAR WEIGHT: 529.17162
SMILES: C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC4=C(C=C3N=CC5=C(C=CC6=CC=CC=C65)[O-])NC(=O)N4)[O-].[Ni+2]
Structure:
CAS RN: 42844-93-9
CAS Name: nickel(2+); 1-[[6-[(2-oxido-1-naphthalenyl)methylideneamino]-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]-2-naphthalenolate
OPENEYE Name: nickelous 1-[[6-[(2-oxido-1-naphthyl)methyleneamino]-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]naphthalen-2-olate
IUPAC Name: nickel(2+); 1-[[6-[(2-oxidonaphthalen-1-yl)methylideneamino]-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]naphthalen-2-olate
SYSTEMATIC NAME: nickel(2+); 1-[[6-[(2-oxidanidylnaphthalen-1-yl)methylideneamino]-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl]iminomethyl]naphthalen-2-olate
MOLECULAR FORMULA: C29H18N4NiO3
MOLECULAR WEIGHT: 529.17162
SMILES: C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC4=C(C=C3N=CC5=C(C=CC6=CC=CC=C65)[O-])NC(=O)N4)[O-].[Ni+2]
Structure:
CAS RN: 42829-58-3
CAS Name: nitric acid (2-methylpropan-2-yl)oxy ester
OPENEYE Name: tert-butoxy nitrate
IUPAC Name: (2-methylpropan-2-yl)oxy nitrate
SYSTEMATIC NAME: (2-methylpropan-2-yl)oxy nitrate
MOLECULAR FORMULA: C4H9NO4
MOLECULAR WEIGHT: 135.11856
SMILES: CC(C)(C)OO[N+](=O)[O-]
Structure:
CAS RN: 42824-62-4
CAS Name: 1,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[c]furan
OPENEYE Name: 1,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[c]furan
IUPAC Name: 1,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[c]furan
SYSTEMATIC NAME: 1,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[c]furan
MOLECULAR FORMULA: C14H26O
MOLECULAR WEIGHT: 210.35564
SMILES: C1CCCCCC2COCC2CCCC1
Structure:
CAS RN: 42794-63-8
CAS Name: 1-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethylamino]-3-(4-methoxyphenoxy)-2-propanol; methanesulfonic acid
OPENEYE Name: 1-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethylamino]-3-(4-methoxyphenoxy)propan-2-ol; methanesulfonic acid
IUPAC Name: 1-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethylamino]-3-(4-methoxyphenoxy)propan-2-ol; methanesulfonic acid
SYSTEMATIC NAME: methanesulfonic acid; 1-(4-methoxyphenoxy)-3-[2-[[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]amino]ethylamino]propan-2-ol
MOLECULAR FORMULA: C24H40N2O12S2
MOLECULAR WEIGHT: 612.7106
SMILES: COC1=CC=C(C=C1)OCC(CNCCNCC(COC2=CC=C(C=C2)OC)O)O.CS(=O)(=O)O.CS(=O)(=O)O
Structure:
CAS RN: 50517-17-4
CAS Name: 1-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethylamino]-3-(4-methoxyphenoxy)-2-propanol; methanesulfonic acid
OPENEYE Name: 1-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethylamino]-3-(4-methoxyphenoxy)propan-2-ol; methanesulfonic acid
IUPAC Name: 1-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethylamino]-3-(4-methoxyphenoxy)propan-2-ol; methanesulfonic acid
SYSTEMATIC NAME: methanesulfonic acid; 1-(4-methoxyphenoxy)-3-[2-[[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]amino]ethylamino]propan-2-ol
MOLECULAR FORMULA: C24H40N2O12S2
MOLECULAR WEIGHT: 612.7106
SMILES: COC1=CC=C(C=C1)OCC(CNCCNCC(COC2=CC=C(C=C2)OC)O)O.CS(=O)(=O)O.CS(=O)(=O)O
Structure:
CAS RN: 42794-04-7
CAS Name: acetic acid [(2R,3R,6S)-4,4,5,5,6-pentaacetyloxy-2-(hydroxymethyl)-6-propyl-3-oxanyl] ester
OPENEYE Name: [(2R,3R,6S)-4,4,5,5,6-pentaacetoxy-2-(hydroxymethyl)-6-propyl-tetrahydropyran-3-yl] acetate
IUPAC Name: [(2R,3R,6S)-4,4,5,5,6-pentaacetyloxy-2-(hydroxymethyl)-6-propyloxan-3-yl] acetate
SYSTEMATIC NAME: [(2R,3R,6S)-4,4,5,5,6-pentaacetyloxy-2-(hydroxymethyl)-6-propyl-oxan-3-yl] ethanoate
MOLECULAR FORMULA: C21H30O14
MOLECULAR WEIGHT: 506.4545
SMILES: CCC[C@@]1(C(C([C@@H]([C@H](O1)CO)OC(=O)C)(OC(=O)C)OC(=O)C)(OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 42781-07-7
CAS Name: 3-acetylhexane-2,5-dione
OPENEYE Name: 3-acetylhexane-2,5-dione
IUPAC Name: 3-acetylhexane-2,5-dione
SYSTEMATIC NAME: 3-ethanoylhexane-2,5-dione
MOLECULAR FORMULA: C8H12O3
MOLECULAR WEIGHT: 156.17908
SMILES: CC(=O)CC(C(=O)C)C(=O)C
Structure:
CAS RN: 141847-20-3
CAS Name: N-(hydroxymethyl)-N-(2-methyl-4-oxopentan-2-yl)-2-propenamide
OPENEYE Name: N-(1,1-dimethyl-3-oxo-butyl)-N-(hydroxymethyl)prop-2-enamide
IUPAC Name: N-(hydroxymethyl)-N-(2-methyl-4-oxopentan-2-yl)prop-2-enamide
SYSTEMATIC NAME: N-(hydroxymethyl)-N-(2-methyl-4-oxidanylidene-pentan-2-yl)prop-2-enamide
MOLECULAR FORMULA: C10H17NO3
MOLECULAR WEIGHT: 199.24688
SMILES: CC(=O)CC(C)(C)N(CO)C(=O)C=C
Structure:
CAS RN: 42772-51-0
CAS Name: N-(hydroxymethyl)-N-(2-methyl-4-oxopentan-2-yl)-2-propenamide
OPENEYE Name: N-(1,1-dimethyl-3-oxo-butyl)-N-(hydroxymethyl)prop-2-enamide
IUPAC Name: N-(hydroxymethyl)-N-(2-methyl-4-oxopentan-2-yl)prop-2-enamide
SYSTEMATIC NAME: N-(hydroxymethyl)-N-(2-methyl-4-oxidanylidene-pentan-2-yl)prop-2-enamide
MOLECULAR FORMULA: C10H17NO3
MOLECULAR WEIGHT: 199.24688
SMILES: CC(=O)CC(C)(C)N(CO)C(=O)C=C
Structure:
CAS RN: 42768-15-0
CAS Name: 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; propane-1,2,3-triol; terephthalic acid
OPENEYE Name: 2,2-dimethylpropane-1,3-diol; ethylene glycol; glycerol; terephthalic acid
IUPAC Name: 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; propane-1,2,3-triol; terephthalic acid
SYSTEMATIC NAME: 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; propane-1,2,3-triol; terephthalic acid
MOLECULAR FORMULA: C18H32O11
MOLECULAR WEIGHT: 424.44008
SMILES: CC(C)(CO)CO.C1=CC(=CC=C1C(=O)O)C(=O)O.C(CO)O.C(C(CO)O)O
Structure:
CAS RN: 115774-14-6
CAS Name: 2-methyl-2-propenoic acid methyl ester; 2-propenoic acid butyl ester; 2-propenoic acid 2-hydroxyethyl ester; styrene
OPENEYE Name: butyl prop-2-enoate; 2-hydroxyethyl prop-2-enoate; methyl 2-methylprop-2-enoate; styrene
IUPAC Name: butyl prop-2-enoate; 2-hydroxyethyl prop-2-enoate; methyl 2-methylprop-2-enoate; styrene
SYSTEMATIC NAME: butyl prop-2-enoate; ethenylbenzene; 2-hydroxyethyl prop-2-enoate; methyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C25H36O7
MOLECULAR WEIGHT: 448.54914
SMILES: CCCCOC(=O)C=C.CC(=C)C(=O)OC.C=CC1=CC=CC=C1.C=CC(=O)OCCO
Structure:
CAS RN: 42767-92-0
CAS Name: 2-methyl-2-propenoic acid methyl ester; 2-propenoic acid butyl ester; 2-propenoic acid 2-hydroxyethyl ester; styrene
OPENEYE Name: butyl prop-2-enoate; 2-hydroxyethyl prop-2-enoate; methyl 2-methylprop-2-enoate; styrene
IUPAC Name: butyl prop-2-enoate; 2-hydroxyethyl prop-2-enoate; methyl 2-methylprop-2-enoate; styrene
SYSTEMATIC NAME: butyl prop-2-enoate; ethenylbenzene; 2-hydroxyethyl prop-2-enoate; methyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C25H36O7
MOLECULAR WEIGHT: 448.54914
SMILES: CCCCOC(=O)C=C.CC(=C)C(=O)OC.C=CC1=CC=CC=C1.C=CC(=O)OCCO
Structure:
CAS RN: 42753-71-9
CAS Name: 5-bromo-6-methyl-2-pyridinamine
OPENEYE Name: 5-bromo-6-methyl-pyridin-2-amine
IUPAC Name: 5-bromo-6-methylpyridin-2-amine
SYSTEMATIC NAME: 5-bromanyl-6-methyl-pyridin-2-amine
MOLECULAR FORMULA: C6H7BrN2
MOLECULAR WEIGHT: 187.03718
SMILES: CC1=C(C=CC(=N1)N)Br
Structure:
CAS RN: 42718-74-1
CAS Name: platinum(2+); 2-prop-2-enylphenolate
OPENEYE Name: 2-allylphenolate; platinum(2+)
IUPAC Name: platinum(2+); 2-prop-2-enylphenolate
SYSTEMATIC NAME: platinum(2+); 2-prop-2-enylphenolate
MOLECULAR FORMULA: C18H18O2Pt
MOLECULAR WEIGHT: 461.41232
SMILES: C=CCC1=CC=CC=C1[O-].C=CCC1=CC=CC=C1[O-].[Pt+2]
Structure:
CAS RN: 42617-35-6
CAS Name: (2R)-2-[(3S,4S,5S,6S)-6-[[(1R,2R,3R,6R,7R,9S)-3-[5-[(2S,5R)-5-[(3S,4R,5R,6S)-4,6-dihydroxy-3,5,6-trimethyl-2-oxanyl]-2-oxolanyl]-2-oxolanyl]-2,7-dimethoxy-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-4-methoxy-5-[[(2S,5S,6R)-5-methoxy-6-methyl-2
OPENEYE Name: (2R)-2-[(3S,4S,5S,6S)-6-[[(1R,2R,3R,6R,7R,9S)-3-[5-[(2S,5R)-5-[(3S,4R,5R,6S)-4,6-dihydroxy-3,5,6-trimethyl-tetrahydropyran-2-yl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]-2,7-dimethoxy-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-4-methoxy-5-[(2
IUPAC Name: (2R)-2-[(3S,4S,5S,6S)-6-[[(1R,2R,3R,6R,7R,9S)-3-[5-[(2S,5R)-5-[(3S,4R,5R,6S)-4,6-dihydroxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-2,7-dimethoxy-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-4-methoxy-5-[(2S,5S,6R)-5-methoxy-6-methyloxa
SYSTEMATIC NAME: (2R)-2-[(3S,4S,5S,6S)-6-[[(1R,2R,3R,6R,7R,9S)-2,7-dimethoxy-1,3,6-trimethyl-3-[5-[(2S,5R)-5-[(3S,4R,5R,6S)-3,5,6-trimethyl-4,6-bis(oxidanyl)oxan-2-yl]oxolan-2-yl]oxolan-2-yl]-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-4-methoxy-5-[(2S,5S,6R)-5-methoxy-6-methy
MOLECULAR FORMULA: C48H82O17
MOLECULAR WEIGHT: 931.15448
SMILES: C[C@H]1[C@H]([C@H]([C@@](OC1[C@H]2CC[C@H](O2)C3CCC(O3)[C@@]4([C@@H]([C@H](C5(O4)[C@@H]([C@@H](C[C@H](O5)C[C@H]6[C@]([C@H]([C@H](C(O6)[C@@H](C)C(=O)OO)C)OC)(C)O[C@H]7CC[C@@H]([C@H](O7)C)OC)OC)C)C)OC)C)(C)O)C)O
Structure:
CAS RN: 42597-49-9
CAS Name: 2,3,4,5-tetrabromo-6-[butoxy(oxo)methyl]benzoic acid
OPENEYE Name: 2,3,4,5-tetrabromo-6-butoxycarbonyl-benzoic acid
IUPAC Name: 2,3,4,5-tetrabromo-6-butoxycarbonylbenzoic acid
SYSTEMATIC NAME: 2,3,4,5-tetrakis(bromanyl)-6-butoxycarbonyl-benzoic acid
MOLECULAR FORMULA: C12H10Br4O4
MOLECULAR WEIGHT: 537.8214
SMILES: CCCCOC(=O)C1=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)O
Structure:
CAS RN: 42595-90-4
CAS Name: 4-[2-(4-morpholinyl)ethyl]-3,3-diphenyl-2-pyrrolidinone
OPENEYE Name: 4-(2-morpholinoethyl)-3,3-diphenyl-pyrrolidin-2-one
IUPAC Name: 4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one
SYSTEMATIC NAME: 4-(2-morpholin-4-ylethyl)-3,3-diphenyl-pyrrolidin-2-one
MOLECULAR FORMULA: C22H26N2O2
MOLECULAR WEIGHT: 350.45404
SMILES: C1COCCN1CCC2CNC(=O)C2(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 42579-89-5
CAS Name: barium(2+); lead(2+); disulfate
OPENEYE Name: plumbous barium(2+) disulfate
IUPAC Name: barium(2+); lead(2+); disulfate
SYSTEMATIC NAME: barium(2+); lead(2+); disulfate
MOLECULAR FORMULA: BaO8PbS2
MOLECULAR WEIGHT: 536.6522
SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ba+2].[Pb+2]
Structure:
CAS RN: 68189-41-3
CAS Name: barium(2+); lead(2+); disulfate
OPENEYE Name: plumbous barium(2+) disulfate
IUPAC Name: barium(2+); lead(2+); disulfate
SYSTEMATIC NAME: barium(2+); lead(2+); disulfate
MOLECULAR FORMULA: BaO8PbS2
MOLECULAR WEIGHT: 536.6522
SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ba+2].[Pb+2]
Structure:
CAS RN: 42576-08-9
CAS Name: (2S,3R)-3-methyl-4-(methylamino)-1,2-diphenyl-2-butanol
OPENEYE Name: (2S,3R)-3-methyl-4-(methylamino)-1,2-diphenyl-butan-2-ol
IUPAC Name: (2S,3R)-3-methyl-4-(methylamino)-1,2-diphenylbutan-2-ol
SYSTEMATIC NAME: (2S,3R)-3-methyl-4-(methylamino)-1,2-diphenyl-butan-2-ol
MOLECULAR FORMULA: C18H23NO
MOLECULAR WEIGHT: 269.38132
SMILES: C[C@H](CNC)[C@@](CC1=CC=CC=C1)(C2=CC=CC=C2)O
Structure:
CAS RN: 42567-04-4
CAS Name: phosphorous acid bis[(3-ethyl-3-oxetanyl)methyl] phenyl ester
OPENEYE Name: bis[(3-ethyloxetan-3-yl)methyl] phenyl phosphite
IUPAC Name: bis[(3-ethyloxetan-3-yl)methyl] phenyl phosphite
SYSTEMATIC NAME: bis[(3-ethyloxetan-3-yl)methyl] phenyl phosphite
MOLECULAR FORMULA: C18H27O5P
MOLECULAR WEIGHT: 354.377741
SMILES: CCC1(COC1)COP(OCC2(COC2)CC)OC3=CC=CC=C3
Structure:
CAS RN: 42530-35-8
CAS Name: 6'-(N-ethyl-4-methylanilino)-2'-(N-methylanilino)-1-spiro[isobenzofuran-3,9'-xanthene]one
OPENEYE Name: 6'-(N-ethyl-4-methyl-anilino)-2'-(N-methylanilino)spiro[isobenzofuran-3,9'-xanthene]-1-one
IUPAC Name: 6'-(N-ethyl-4-methylanilino)-2'-(N-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
SYSTEMATIC NAME: 6'-[ethyl-(4-methylphenyl)amino]-2'-[methyl(phenyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one
MOLECULAR FORMULA: C36H30N2O3
MOLECULAR WEIGHT: 538.635
SMILES: CCN(C1=CC=C(C=C1)C)C2=CC3=C(C=C2)C4(C5=CC=CC=C5C(=O)O4)C6=C(O3)C=CC(=C6)N(C)C7=CC=CC=C7
Structure:
CAS RN: 42530-03-0
CAS Name: 4,6-diamino-2-bromo-3-pyridinecarbonitrile
OPENEYE Name: 4,6-diamino-2-bromo-pyridine-3-carbonitrile
IUPAC Name: 4,6-diamino-2-bromopyridine-3-carbonitrile
SYSTEMATIC NAME: 4,6-bis(azanyl)-2-bromanyl-pyridine-3-carbonitrile
MOLECULAR FORMULA: C6H5BrN4
MOLECULAR WEIGHT: 213.0347
SMILES: C1=C(C(=C(N=C1N)Br)C#N)N
Structure:
CAS RN: 42514-64-7
CAS Name: carbamic acid [5-(diaminomethylideneamino)-2-[[3-[[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)-2-oxanyl]oxy]-4-hydroxy-4-(hydroxymethyl)-5-methyl-2-oxolanyl]oxy]-3,4,6-trihydroxycyclohexyl] ester sulfate
OPENEYE Name: [2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydropyran-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyl-tetrahydrofuran-2-yl]oxy-5-guanidino-3,4,6-trihydroxy-cyclohexyl] carbamate sulfate
IUPAC Name: [5-(diaminomethylideneamino)-2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl] carbamate sulfate
SYSTEMATIC NAME: [5-[bis(azanyl)methylideneamino]-2-[4-(hydroxymethyl)-3-[6-(hydroxymethyl)-3-(methylamino)-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-methyl-4-oxidanyl-oxolan-2-yl]oxy-3,4,6-tris(oxidanyl)cyclohexyl] carbamate sulfate
MOLECULAR FORMULA: C21H39N5O18S-2
MOLECULAR WEIGHT: 681.62206
SMILES: CC1C(C(C(O1)OC2C(C(C(C(C2OC(=O)N)O)N=C(N)N)O)O)OC3C(C(C(C(O3)CO)O)O)NC)(CO)O.[O-]S(=O)(=O)[O-]
Structure:
CAS RN: 42514-10-3
CAS Name: 3-ethenylsulfonyl-N-[[(3-ethenylsulfonyl-1-oxopropyl)amino]methyl]propanamide
OPENEYE Name: 3-vinylsulfonyl-N-[(3-vinylsulfonylpropanoylamino)methyl]propanamide
IUPAC Name: 3-ethenylsulfonyl-N-[(3-ethenylsulfonylpropanoylamino)methyl]propanamide
SYSTEMATIC NAME: 3-ethenylsulfonyl-N-[(3-ethenylsulfonylpropanoylamino)methyl]propanamide
MOLECULAR FORMULA: C11H18N2O6S2
MOLECULAR WEIGHT: 338.40042
SMILES: C=CS(=O)(=O)CCC(=O)NCNC(=O)CCS(=O)(=O)C=C
Structure:
CAS RN: 42509-62-6
CAS Name: 3-chloro-2-propan-2-yl-1H-1,2,4-triazol-5-one
OPENEYE Name: 3-chloro-2-isopropyl-1H-1,2,4-triazol-5-one
IUPAC Name: 3-chloro-2-propan-2-yl-1H-1,2,4-triazol-5-one
SYSTEMATIC NAME: 3-chloranyl-2-propan-2-yl-1H-1,2,4-triazol-5-one
MOLECULAR FORMULA: C5H8ClN3O
MOLECULAR WEIGHT: 161.58952
SMILES: CC(C)N1C(=NC(=O)N1)Cl
Structure:
CAS RN: 42507-58-4
CAS Name: (1R,2S,5S)-4,5-dimethyl-2-(2-methylprop-1-enyl)-1-cyclohex-3-enecarboxaldehyde
OPENEYE Name: (1R,2S,5S)-4,5-dimethyl-2-(2-methylprop-1-enyl)cyclohex-3-ene-1-carbaldehyde
IUPAC Name: (1R,2S,5S)-4,5-dimethyl-2-(2-methylprop-1-enyl)cyclohex-3-ene-1-carbaldehyde
SYSTEMATIC NAME: (1R,2S,5S)-4,5-dimethyl-2-(2-methylprop-1-enyl)cyclohex-3-ene-1-carbaldehyde
MOLECULAR FORMULA: C13H20O
MOLECULAR WEIGHT: 192.2973
SMILES: C[C@H]1C[C@H]([C@H](C=C1C)C=C(C)C)C=O
Structure:
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