CAS RN: 945539-95-7
CAS Name: 2-propenoic acid (5-ethyl-1,3-dioxan-5-yl)methyl ester
OPENEYE Name: (5-ethyl-1,3-dioxan-5-yl)methyl prop-2-enoate
IUPAC Name: (5-ethyl-1,3-dioxan-5-yl)methyl prop-2-enoate
SYSTEMATIC NAME: (5-ethyl-1,3-dioxan-5-yl)methyl prop-2-enoate
MOLECULAR FORMULA: C10H16O4
MOLECULAR WEIGHT: 200.23164
SMILES: CCC1(COCOC1)COC(=O)C=C
Structure:
CAS RN: 66470-69-7
CAS Name: 2-cyano-2-propenoic acid (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester
OPENEYE Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-cyanoprop-2-enoate
IUPAC Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-cyanoprop-2-enoate
SYSTEMATIC NAME: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-cyanoprop-2-enoate
MOLECULAR FORMULA: C10H13NO4
MOLECULAR WEIGHT: 211.21452
SMILES: CC1(OCC(O1)COC(=O)C(=C)C#N)C
Structure:
CAS RN: 66447-31-2
CAS Name: (2S)-2-amino-4-methyl-N-(4-methyl-2-oxo-1-benzopyran-7-yl)pentanamide
OPENEYE Name: (2S)-2-amino-4-methyl-N-(4-methyl-2-oxo-chromen-7-yl)pentanamide
IUPAC Name: (2S)-2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide
SYSTEMATIC NAME: (2S)-2-azanyl-4-methyl-N-(4-methyl-2-oxidanylidene-chromen-7-yl)pentanamide
MOLECULAR FORMULA: C16H20N2O3
MOLECULAR WEIGHT: 288.3416
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CC(C)C)N
Structure:
CAS RN: 66442-94-2
CAS Name: 4-(3,8-diamino-5-methyl-6-phenanthridin-5-iumyl)benzoic acid
OPENEYE Name: 4-(3,8-diamino-5-methyl-phenanthridin-5-ium-6-yl)benzoic acid
IUPAC Name: 4-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)benzoic acid
SYSTEMATIC NAME: 4-[3,8-bis(azanyl)-5-methyl-phenanthridin-5-ium-6-yl]benzoic acid
MOLECULAR FORMULA: C21H18N3O2+
MOLECULAR WEIGHT: 344.38652
SMILES: C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=C(C=C4)C(=O)O)N)N
Structure:
CAS RN: 66440-66-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H10N2S
MOLECULAR WEIGHT: 226.2969
SMILES: C1CN2C3=C(C=CC4=CC=CC=C43)SC2=N1
Structure:
CAS RN: 66403-25-6
CAS Name: 1,5-dimethyl-5-(7-oxabicyclo[4.1.0]heptan-6-yl)-1,3-diazinane-2,4,6-trione
OPENEYE Name: 1,5-dimethyl-5-(7-oxabicyclo[4.1.0]heptan-6-yl)hexahydropyrimidine-2,4,6-trione
IUPAC Name: 1,5-dimethyl-5-(7-oxabicyclo[4.1.0]heptan-6-yl)-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 1,5-dimethyl-5-(7-oxabicyclo[4.1.0]heptan-6-yl)-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C12H16N2O4
MOLECULAR WEIGHT: 252.26644
SMILES: CC1(C(=O)NC(=O)N(C1=O)C)C23CCCCC2O3
Structure:
CAS RN: 66397-14-6
CAS Name: 2-mercaptoacetic acid [3-(2-mercapto-1-oxoethoxy)-2,2-bis[(2-mercapto-1-oxoethoxy)methyl]propyl] ester; pentanedial
OPENEYE Name: pentanedial; [3-(2-sulfanylacetyl)oxy-2,2-bis[(2-sulfanylacetyl)oxymethyl]propyl] 2-sulfanylacetate
IUPAC Name: pentanedial; [3-(2-sulfanylacetyl)oxy-2,2-bis[(2-sulfanylacetyl)oxymethyl]propyl] 2-sulfanylacetate
SYSTEMATIC NAME: pentanedial; [3-(2-sulfanylethanoyloxy)-2,2-bis(2-sulfanylethanoyloxymethyl)propyl] 2-sulfanylethanoate
MOLECULAR FORMULA: C18H28O10S4
MOLECULAR WEIGHT: 532.66892
SMILES: C(CC=O)CC=O.C(C(=O)OCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS)S
Structure:
CAS RN: 66330-14-1
CAS Name: 2-methyl-2-propenoic acid; 2-propenoic acid butyl ester; 2-propenoic acid 2-hydroxypropyl ester; styrene
OPENEYE Name: butyl prop-2-enoate; 2-hydroxypropyl prop-2-enoate; 2-methylprop-2-enoic acid; styrene
IUPAC Name: butyl prop-2-enoate; 2-hydroxypropyl prop-2-enoate; 2-methylprop-2-enoic acid; styrene
SYSTEMATIC NAME: butyl prop-2-enoate; ethenylbenzene; 2-methylprop-2-enoic acid; 2-oxidanylpropyl prop-2-enoate
MOLECULAR FORMULA: C25H36O7
MOLECULAR WEIGHT: 448.54914
SMILES: CCCCOC(=O)C=C.CC(COC(=O)C=C)O.CC(=C)C(=O)O.C=CC1=CC=CC=C1
Structure:
CAS RN: 71551-15-0
CAS Name: 2-methyl-2-propenoic acid; 2-propenoic acid butyl ester; 2-propenoic acid 2-hydroxypropyl ester; styrene
OPENEYE Name: butyl prop-2-enoate; 2-hydroxypropyl prop-2-enoate; 2-methylprop-2-enoic acid; styrene
IUPAC Name: butyl prop-2-enoate; 2-hydroxypropyl prop-2-enoate; 2-methylprop-2-enoic acid; styrene
SYSTEMATIC NAME: butyl prop-2-enoate; ethenylbenzene; 2-methylprop-2-enoic acid; 2-oxidanylpropyl prop-2-enoate
MOLECULAR FORMULA: C25H36O7
MOLECULAR WEIGHT: 448.54914
SMILES: CCCCOC(=O)C=C.CC(COC(=O)C=C)O.CC(=C)C(=O)O.C=CC1=CC=CC=C1
Structure:
CAS RN: 31556-40-8
CAS Name: 1-amino-4-hydroxy-2-[4-(2-phenylpropan-2-yl)phenoxy]anthracene-9,10-dione
OPENEYE Name: 1-amino-4-hydroxy-2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]anthracene-9,10-dione
IUPAC Name: 1-amino-4-hydroxy-2-[4-(2-phenylpropan-2-yl)phenoxy]anthracene-9,10-dione
SYSTEMATIC NAME: 1-azanyl-4-oxidanyl-2-[4-(2-phenylpropan-2-yl)phenoxy]anthracene-9,10-dione
MOLECULAR FORMULA: C29H23NO4
MOLECULAR WEIGHT: 449.49722
SMILES: CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC3=C(C4=C(C(=C3)O)C(=O)C5=CC=CC=C5C4=O)N
Structure:
CAS RN: 66327-55-7
CAS Name: ammonium 1-butan-2-yl-7-[[2-hydroxy-5-(4-hydroxyphenyl)sulfonylphenyl]methyl]-2-naphthalenesulfonate
OPENEYE Name: ammonium 7-[[2-hydroxy-5-(4-hydroxyphenyl)sulfonyl-phenyl]methyl]-1-sec-butyl-naphthalene-2-sulfonate
IUPAC Name: azanium 1-butan-2-yl-7-[[2-hydroxy-5-(4-hydroxyphenyl)sulfonylphenyl]methyl]naphthalene-2-sulfonate
SYSTEMATIC NAME: azanium 1-butan-2-yl-7-[[5-(4-hydroxyphenyl)sulfonyl-2-oxidanyl-phenyl]methyl]naphthalene-2-sulfonate
MOLECULAR FORMULA: C27H29NO7S2
MOLECULAR WEIGHT: 543.65166
SMILES: CCC(C)C1=C(C=CC2=C1C=C(C=C2)CC3=C(C=CC(=C3)S(=O)(=O)C4=CC=C(C=C4)O)O)S(=O)(=O)[O-].[NH4+]
Structure:
CAS RN: 66295-99-6
CAS Name: 2-(4-chlorophenyl)-1-methylaziridine
OPENEYE Name: 2-(4-chlorophenyl)-1-methyl-aziridine
IUPAC Name: 2-(4-chlorophenyl)-1-methylaziridine
SYSTEMATIC NAME: 2-(4-chlorophenyl)-1-methyl-aziridine
MOLECULAR FORMULA: C9H10ClN
MOLECULAR WEIGHT: 167.6354
SMILES: CN1CC1C2=CC=C(C=C2)Cl
Structure:
CAS RN: 66266-91-9
CAS Name: 3-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]amino]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide
OPENEYE Name: 3-[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoylamino]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide
IUPAC Name: 3-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide
SYSTEMATIC NAME: 3-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)benzamide
MOLECULAR FORMULA: C36H44N4O4
MOLECULAR WEIGHT: 596.75896
SMILES: CCC(C(=O)NC1=CC=CC(=C1)C(=O)NC2=NN(C(=O)C2)C3=CC=CC=C3)OC4=C(C=C(C=C4)C(C)(C)CC)C(C)(C)CC
Structure:
CAS RN: 66266-85-1
CAS Name: 3-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]amino]-N-[4-(4-methoxyphenyl)azo-5-oxo-1-phenyl-4H-pyrazol-3-yl]benzamide
OPENEYE Name: 3-[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoylamino]-N-[4-(4-methoxyphenyl)azo-5-oxo-1-phenyl-4H-pyrazol-3-yl]benzamide
IUPAC Name: 3-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-N-[4-[(4-methoxyphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]benzamide
SYSTEMATIC NAME: 3-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-N-[4-[(4-methoxyphenyl)diazenyl]-5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl]benzamide
MOLECULAR FORMULA: C43H50N6O5
MOLECULAR WEIGHT: 730.8943
SMILES: CCC(C(=O)NC1=CC=CC(=C1)C(=O)NC2=NN(C(=O)C2N=NC3=CC=C(C=C3)OC)C4=CC=CC=C4)OC5=C(C=C(C=C5)C(C)(C)CC)C(C)(C)CC
Structure:
CAS RN: 66256-72-2
CAS Name: 4-(3-methylphenyl)azo-5-oxo-1,4-dihydropyrazole-3-carboxylic acid
OPENEYE Name: 4-(m-tolylazo)-5-oxo-1,4-dihydropyrazole-3-carboxylic acid
IUPAC Name: 4-[(3-methylphenyl)diazenyl]-5-oxo-1,4-dihydropyrazole-3-carboxylic acid
SYSTEMATIC NAME: 4-[(3-methylphenyl)diazenyl]-5-oxidanylidene-1,4-dihydropyrazole-3-carboxylic acid
MOLECULAR FORMULA: C11H10N4O3
MOLECULAR WEIGHT: 246.2221
SMILES: CC1=CC(=CC=C1)N=NC2C(=NNC2=O)C(=O)O
Structure:
CAS RN: 66214-46-8
CAS Name: sodium 4-[4-(2-nitroanilino)phenyl]azobenzenesulfonate
OPENEYE Name: sodium 4-[4-(2-nitroanilino)phenyl]azobenzenesulfonate
IUPAC Name: sodium 4-[[4-(2-nitroanilino)phenyl]diazenyl]benzenesulfonate
SYSTEMATIC NAME: sodium 4-[[4-[(2-nitrophenyl)amino]phenyl]diazenyl]benzenesulfonate
MOLECULAR FORMULA: C18H13N4NaO5S
MOLECULAR WEIGHT: 420.37439
SMILES: C1=CC=C(C(=C1)NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]
Structure:
CAS RN: 66211-83-4
CAS Name: 7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 7-hydroxy-3-(2-hydroxy-4-methoxy-phenyl)chroman-4-one
IUPAC Name: 7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: 3-(4-methoxy-2-oxidanyl-phenyl)-7-oxidanyl-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C16H14O5
MOLECULAR WEIGHT: 286.27936
SMILES: COC1=CC(=C(C=C1)C2COC3=C(C2=O)C=CC(=C3)O)O
Structure:
CAS RN: 66197-79-3
CAS Name: trisodium 2-[bis[2-[hydroxy(oxido)phosphoryl]oxyethyl]amino]ethyl hydrogen phosphate
OPENEYE Name: trisodium 2-[bis[2-[hydroxy(oxido)phosphoryl]oxyethyl]amino]ethyl hydrogen phosphate
IUPAC Name: trisodium 2-[bis[2-[hydroxy(oxido)phosphoryl]oxyethyl]amino]ethyl hydrogen phosphate
SYSTEMATIC NAME: trisodium 2-[bis[2-[oxidanidyl(oxidanyl)phosphoryl]oxyethyl]amino]ethyl hydrogen phosphate
MOLECULAR FORMULA: C6H15NNa3O12P3
MOLECULAR WEIGHT: 455.073393
SMILES: C(COP(=O)(O)[O-])N(CCOP(=O)(O)[O-])CCOP(=O)(O)[O-].[Na+].[Na+].[Na+]
Structure:
CAS RN: 66037-12-5
CAS Name: disodium 2-methoxy-3-[5-(2-methoxy-3-sulfonatophenyl)-2-thiazolo[5,4-d]thiazolyl]benzenesulfonate
OPENEYE Name: disodium 2-methoxy-3-[5-(2-methoxy-3-sulfonato-phenyl)thiazolo[5,4-d]thiazol-2-yl]benzenesulfonate
IUPAC Name: disodium 2-methoxy-3-[5-(2-methoxy-3-sulfonatophenyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]benzenesulfonate
SYSTEMATIC NAME: disodium 2-methoxy-3-[5-(2-methoxy-3-sulfonato-phenyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]benzenesulfonate
MOLECULAR FORMULA: C18H12N2Na2O8S4
MOLECULAR WEIGHT: 558.53602
SMILES: COC1=C(C=CC=C1S(=O)(=O)[O-])C2=NC3=C(S2)N=C(S3)C4=C(C(=CC=C4)S(=O)(=O)[O-])OC.[Na+].[Na+]
Structure:
CAS RN: 66182-98-7
CAS Name: disodium 2-methoxy-3-[5-(2-methoxy-3-sulfonatophenyl)-2-thiazolo[5,4-d]thiazolyl]benzenesulfonate
OPENEYE Name: disodium 2-methoxy-3-[5-(2-methoxy-3-sulfonato-phenyl)thiazolo[5,4-d]thiazol-2-yl]benzenesulfonate
IUPAC Name: disodium 2-methoxy-3-[5-(2-methoxy-3-sulfonatophenyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]benzenesulfonate
SYSTEMATIC NAME: disodium 2-methoxy-3-[5-(2-methoxy-3-sulfonato-phenyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]benzenesulfonate
MOLECULAR FORMULA: C18H12N2Na2O8S4
MOLECULAR WEIGHT: 558.53602
SMILES: COC1=C(C=CC=C1S(=O)(=O)[O-])C2=NC3=C(S2)N=C(S3)C4=C(C(=CC=C4)S(=O)(=O)[O-])OC.[Na+].[Na+]
Structure:
CAS RN: 66179-55-3
CAS Name: N-[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[(1S)-1-(hydroxycarbamoyl)-3-methyl-butyl]carbamate
IUPAC Name: benzyl N-[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2S)-4-methyl-1-(oxidanylamino)-1-oxidanylidene-pentan-2-yl]carbamate
MOLECULAR FORMULA: C14H20N2O4
MOLECULAR WEIGHT: 280.3196
SMILES: CC(C)C[C@@H](C(=O)NO)NC(=O)OCC1=CC=CC=C1
Structure:
CAS RN: 66167-20-2
CAS Name: 1,3-diisocyanato-2-methylbenzene; hexanedioic acid; 4-[2-(4-hydroxycyclohexyl)propan-2-yl]-1-cyclohexanol; 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
OPENEYE Name: adipic acid; 1,3-diisocyanato-2-methyl-benzene; 4-[1-(4-hydroxycyclohexyl)-1-methyl-ethyl]cyclohexanol; 3-hydroxy-2-(hydroxymethyl)-2-methyl-propanoic acid
IUPAC Name: 1,3-diisocyanato-2-methylbenzene; hexanedioic acid; 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol; 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
SYSTEMATIC NAME: 1,3-diisocyanato-2-methyl-benzene; hexanedioic acid; 2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoic acid; 4-[2-(4-oxidanylcyclohexyl)propan-2-yl]cyclohexan-1-ol
MOLECULAR FORMULA: C35H54N2O12
MOLECULAR WEIGHT: 694.80946
SMILES: CC1=C(C=CC=C1N=C=O)N=C=O.CC(C)(C1CCC(CC1)O)C2CCC(CC2)O.CC(CO)(CO)C(=O)O.C(CCC(=O)O)CC(=O)O
Structure:
CAS RN: 66165-33-1
CAS Name: 4-(3-aminopropylamino)butanoic acid
OPENEYE Name: 4-(3-aminopropylamino)butanoic acid
IUPAC Name: 4-(3-aminopropylamino)butanoic acid
SYSTEMATIC NAME: 4-(3-azanylpropylamino)butanoic acid
MOLECULAR FORMULA: C7H16N2O2
MOLECULAR WEIGHT: 160.21414
SMILES: C(CC(=O)O)CNCCCN
Structure:
CAS RN: 66161-63-5
CAS Name: N-[3-[bis(2-hydroxyethyl)amino]propyl]dodecanamide
OPENEYE Name: N-[3-[bis(2-hydroxyethyl)amino]propyl]dodecanamide
IUPAC Name: N-[3-[bis(2-hydroxyethyl)amino]propyl]dodecanamide
SYSTEMATIC NAME: N-[3-[bis(2-hydroxyethyl)amino]propyl]dodecanamide
MOLECULAR FORMULA: C19H40N2O3
MOLECULAR WEIGHT: 344.5325
SMILES: CCCCCCCCCCCC(=O)NCCCN(CCO)CCO
Structure:
CAS RN: 66161-48-6
CAS Name: magnesium 1-chloro-2,4-diethoxy-4-oxo-2-butanolate iodide
OPENEYE Name: magnesium 1-chloro-2,4-diethoxy-4-oxo-butan-2-olate iodide
IUPAC Name: magnesium 1-chloro-2,4-diethoxy-4-oxobutan-2-olate iodide
SYSTEMATIC NAME: magnesium 1-chloranyl-2,4-diethoxy-4-oxidanylidene-butan-2-olate iodide
MOLECULAR FORMULA: C8H14ClIMgO4
MOLECULAR WEIGHT: 360.85683
SMILES: CCOC(=O)CC(CCl)([O-])OCC.[Mg+2].[I-]
Structure:
CAS RN: 66148-78-5
CAS Name: (2S,5R,6S)-6-[[2-carboxy-1-oxo-2-(3-thiophenyl)ethyl]amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,5R,6S)-6-[[2-carboxy-2-(3-thienyl)acetyl]amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,5R,6S)-6-[(2-carboxy-2-thiophen-3-ylacetyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6S)-6-methoxy-3,3-dimethyl-7-oxidanylidene-6-[(3-oxidanyl-3-oxidanylidene-2-thiophen-3-yl-propanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C16H18N2O7S2
MOLECULAR WEIGHT: 414.45332
SMILES: CC1([C@@H](N2[C@H](S1)[C@@](C2=O)(NC(=O)C(C3=CSC=C3)C(=O)O)OC)C(=O)O)C
Structure:
CAS RN: 66142-95-8
CAS Name: chromium(3+); N-cyclohexylcyclohexanamine; 4-[4-[[3-(dioxidoamino)-6-oxo-1-cyclohexa-2,4-dienylidene]hydrazinylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonate; 4-[3-methyl-4-(5-nitro-2-oxidophenyl)azo-5-oxido-1-pyrazolyl]benzenesulfonate
OPENEYE Name: chromic; N-cyclohexylcyclohexanamine; 4-[4-[[3-(dioxidoamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]hydrazono]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonate; 4-[3-methyl-4-(5-nitro-2-oxido-phenyl)azo-5-oxido-pyrazol-1-yl]benzenesulfonate
IUPAC Name: chromium(3+); N-cyclohexylcyclohexanamine; 4-[4-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonate; 4-[3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-5-oxidopyrazol-1-yl]benzenesulfonate
SYSTEMATIC NAME: 4-[4-[[3-[bis(oxidanidyl)amino]-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonate; chromium(3+); N-cyclohexylcyclohexanamine; 4-[3-methyl-4-[(5-nitro-2-oxidanidyl-phenyl)diazenyl]-5-oxidan
MOLECULAR FORMULA: C56H66CrN12O14S2-3
MOLECULAR WEIGHT: 1247.32134
SMILES: CC1=NN(C(=C1N=NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].CC1=NN(C(=O)C1=NN=C2C=C(C=CC2=O)N([O-])[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].C1CCC(CC1)NC2CCCCC2.C1CCC(CC1)NC2CCCCC2.[Cr+3]
Structure:
CAS RN: 66130-90-3
CAS Name: 2-diethoxyphosphorylacetic acid trimethylsilyl ester
OPENEYE Name: trimethylsilyl 2-diethoxyphosphorylacetate
IUPAC Name: trimethylsilyl 2-diethoxyphosphorylacetate
SYSTEMATIC NAME: trimethylsilyl 2-diethoxyphosphorylethanoate
MOLECULAR FORMULA: C9H21O5PSi
MOLECULAR WEIGHT: 268.319301
SMILES: CCOP(=O)(CC(=O)O[Si](C)(C)C)OCC
Structure:
CAS RN: 66112-58-1
CAS Name: (2R)-2-[[2-[[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-1-oxopropyl]-(2-amino-1-oxobutyl)amino]-5-amino-5-oxopentanoic acid
OPENEYE Name: (2R)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoyl-(2-aminobutanoyl)amino]-5-amino-5-oxo-pentanoic acid
IUPAC Name: (2R)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl-(2-aminobutanoyl)amino]-5-amino-5-oxopentanoic acid
SYSTEMATIC NAME: (2R)-2-[2-[(2R,3S,4R,5R,6S)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoyl-(2-azanylbutanoyl)amino]-5-azanyl-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C20H34N4O11
MOLECULAR WEIGHT: 506.50416
SMILES: CCC(C(=O)N([C@H](CCC(=O)N)C(=O)O)C(=O)C(C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C)N
Structure:
CAS RN: 66104-42-5
CAS Name: disodium (2S)-2-[(4-methylphenyl)sulfonylamino]pentanedioate
OPENEYE Name: disodium (2S)-2-(p-tolylsulfonylamino)pentanedioate
IUPAC Name: disodium (2S)-2-[(4-methylphenyl)sulfonylamino]pentanedioate
SYSTEMATIC NAME: disodium (2S)-2-[(4-methylphenyl)sulfonylamino]pentanedioate
MOLECULAR FORMULA: C12H13NNa2O6S
MOLECULAR WEIGHT: 345.27926
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 66085-61-8
CAS Name: 2-(2-hydroxyethylamino)ethanol; sulfurous acid
OPENEYE Name: 2-(2-hydroxyethylamino)ethanol; sulfurous acid
IUPAC Name: 2-(2-hydroxyethylamino)ethanol; sulfurous acid
SYSTEMATIC NAME: 2-(2-hydroxyethylamino)ethanol; sulfurous acid
MOLECULAR FORMULA: C4H13NO5S
MOLECULAR WEIGHT: 187.21472
SMILES: C(CO)NCCO.OS(=O)O
Structure:
CAS RN: 66082-30-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H31N3O9
MOLECULAR WEIGHT: 553.56044
SMILES: CC1=C(C2=C([C@H]3[C@@H]4CC5=C([C@@H](N4C[C@@H](C2=O)N3C)CNC(=O)C(=O)C)C(=O)C(=C(C5=O)C)OC)C(=C1OC)O)O
Structure:
CAS RN: 66082-28-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H31N3O8
MOLECULAR WEIGHT: 537.56104
SMILES: CC1=C(C(=O)C2=C(C1=O)C[C@@H]3CN4[C@H]([C@H]2N3C)CC5=C([C@@H]4CNC(=O)C(=O)C)C(=O)C(=C(C5=O)C)OC)OC
Structure:
CAS RN: 66072-30-8
CAS Name: 1-(2-hydroxypropylamino)-2-propanol; 2-methyl-2-(1-oxoprop-2-enylamino)-1-propanesulfonic acid; 2-methyl-2-propenoic acid; 2-methyl-2-undecanethiol; 2-propenoic acid 2-hydroxyethyl ester; styrene
OPENEYE Name: 2-hydroxyethyl prop-2-enoate; 1-(2-hydroxypropylamino)propan-2-ol; 2-methylprop-2-enoic acid; 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid; 2-methylundecane-2-thiol; styrene
IUPAC Name: 2-hydroxyethyl prop-2-enoate; 1-(2-hydroxypropylamino)propan-2-ol; 2-methylprop-2-enoic acid; 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid; 2-methylundecane-2-thiol; styrene
SYSTEMATIC NAME: ethenylbenzene; 2-hydroxyethyl prop-2-enoate; 2-methylprop-2-enoic acid; 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid; 2-methylundecane-2-thiol; 1-(2-oxidanylpropylamino)propan-2-ol
MOLECULAR FORMULA: C42H76N2O11S2
MOLECULAR WEIGHT: 849.18964
SMILES: CCCCCCCCCC(C)(C)S.CC(CNCC(C)O)O.CC(=C)C(=O)O.CC(C)(CS(=O)(=O)O)NC(=O)C=C.C=CC1=CC=CC=C1.C=CC(=O)OCCO
Structure:
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