CAS RN: 6121-21-7
CAS Name: 1-carbamoyl-1-(phenylmethyl)-3-propylurea
OPENEYE Name: 1-benzyl-1-carbamoyl-3-propyl-urea
IUPAC Name: 1-benzyl-1-carbamoyl-3-propylurea
SYSTEMATIC NAME: 1-aminocarbonyl-1-(phenylmethyl)-3-propyl-urea
MOLECULAR FORMULA: C12H17N3O2
MOLECULAR WEIGHT: 235.28228
SMILES: CCCNC(=O)N(CC1=CC=CC=C1)C(=O)N
Structure:
CAS RN: 6113-85-5
CAS Name: N-[(5-amino-2-octoxyphenyl)methyl]benzamide
OPENEYE Name: N-[(5-amino-2-octoxy-phenyl)methyl]benzamide
IUPAC Name: N-[(5-amino-2-octoxyphenyl)methyl]benzamide
SYSTEMATIC NAME: N-[(5-azanyl-2-octoxy-phenyl)methyl]benzamide
MOLECULAR FORMULA: C22H30N2O2
MOLECULAR WEIGHT: 354.4858
SMILES: CCCCCCCCOC1=C(C=C(C=C1)N)CNC(=O)C2=CC=CC=C2
Structure:
CAS RN: 6110-67-4
CAS Name: 8-(3-phenylpropyl)-4-oxa-2,8-diazaspiro[4.5]decan-3-one hydrochloride
OPENEYE Name: 8-(3-phenylpropyl)-4-oxa-2,8-diazaspiro[4.5]decan-3-one hydrochloride
IUPAC Name: 8-(3-phenylpropyl)-4-oxa-2,8-diazaspiro[4.5]decan-3-one hydrochloride
SYSTEMATIC NAME: 8-(3-phenylpropyl)-4-oxa-2,8-diazaspiro[4.5]decan-3-one hydrochloride
MOLECULAR FORMULA: C16H23ClN2O2
MOLECULAR WEIGHT: 310.81902
SMILES: C1CN(CCC12CNC(=O)O2)CCCC3=CC=CC=C3.Cl
Structure:
CAS RN: 6109-69-9
CAS Name: oxalic acid; 1-[4-(1-pyrrolidinyl)but-2-ynyl]-2-pyrrolidinone
OPENEYE Name: oxalic acid; 1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
IUPAC Name: oxalic acid; 1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
SYSTEMATIC NAME: ethanedioic acid; 1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
MOLECULAR FORMULA: C30H42N4O14
MOLECULAR WEIGHT: 682.67288
SMILES: C1CCN(C1)CC#CCN2CCCC2=O.C1CCN(C1)CC#CCN2CCCC2=O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O
Structure:
CAS RN: 6107-03-5
CAS Name: methanesulfonic acid; 3-[(methylthio)methyl]-4-octoxyaniline
OPENEYE Name: methanesulfonic acid; 3-(methylsulfanylmethyl)-4-octoxy-aniline
IUPAC Name: methanesulfonic acid; 3-(methylsulfanylmethyl)-4-octoxyaniline
SYSTEMATIC NAME: methanesulfonic acid; 3-(methylsulfanylmethyl)-4-octoxy-aniline
MOLECULAR FORMULA: C17H31NO4S2
MOLECULAR WEIGHT: 377.56234
SMILES: CCCCCCCCOC1=C(C=C(C=C1)N)CSC.CS(=O)(=O)O
Structure:
CAS RN: 6105-75-5
CAS Name: 2-methyl-1-(4-morpholinyl)-2-propanamine
OPENEYE Name: 2-methyl-1-morpholino-propan-2-amine
IUPAC Name: 2-methyl-1-morpholin-4-ylpropan-2-amine
SYSTEMATIC NAME: 2-methyl-1-morpholin-4-yl-propan-2-amine
MOLECULAR FORMULA: C8H18N2O
MOLECULAR WEIGHT: 158.24132
SMILES: CC(C)(CN1CCOCC1)N
Structure:
CAS RN: 6096-16-8
CAS Name: 2-(diethoxyphosphinothioylthio)-N-(4-nitrophenyl)acetamide
OPENEYE Name: 2-diethoxyphosphinothioylsulfanyl-N-(4-nitrophenyl)acetamide
IUPAC Name: 2-diethoxyphosphinothioylsulfanyl-N-(4-nitrophenyl)acetamide
SYSTEMATIC NAME: 2-diethoxyphosphinothioylsulfanyl-N-(4-nitrophenyl)ethanamide
MOLECULAR FORMULA: C12H17N2O5PS2
MOLECULAR WEIGHT: 364.377541
SMILES: CCOP(=S)(OCC)SCC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 6094-61-7
CAS Name: 8-(diphenylmethyl)-4-oxa-2,8-diazaspiro[4.5]decan-3-one
OPENEYE Name: 8-benzhydryl-4-oxa-2,8-diazaspiro[4.5]decan-3-one
IUPAC Name: 8-benzhydryl-4-oxa-2,8-diazaspiro[4.5]decan-3-one
SYSTEMATIC NAME: 8-(diphenylmethyl)-4-oxa-2,8-diazaspiro[4.5]decan-3-one
MOLECULAR FORMULA: C20H22N2O2
MOLECULAR WEIGHT: 322.40088
SMILES: C1CN(CCC12CNC(=O)O2)C(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 6092-19-9
CAS Name: N-carbamoyl-2-phenoxyacetamide
OPENEYE Name: N-carbamoyl-2-phenoxy-acetamide
IUPAC Name: N-carbamoyl-2-phenoxyacetamide
SYSTEMATIC NAME: N-aminocarbonyl-2-phenoxy-ethanamide
MOLECULAR FORMULA: C9H10N2O3
MOLECULAR WEIGHT: 194.1873
SMILES: C1=CC=C(C=C1)OCC(=O)NC(=O)N
Structure:
CAS RN: 6082-56-0
CAS Name: 1,2-diphenyl-4-propylpyrazolidine-3,5-dione
OPENEYE Name: 1,2-diphenyl-4-propyl-pyrazolidine-3,5-dione
IUPAC Name: 1,2-diphenyl-4-propylpyrazolidine-3,5-dione
SYSTEMATIC NAME: 1,2-diphenyl-4-propyl-pyrazolidine-3,5-dione
MOLECULAR FORMULA: C18H18N2O2
MOLECULAR WEIGHT: 294.34772
SMILES: CCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 6076-60-4
CAS Name: N-[[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-phenyl-4-piperidinyl]methyl]acetamide hydrochloride
OPENEYE Name: N-[[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-phenyl-4-piperidyl]methyl]acetamide hydrochloride
IUPAC Name: N-[[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-phenylpiperidin-4-yl]methyl]acetamide hydrochloride
SYSTEMATIC NAME: N-[[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-phenyl-piperidin-4-yl]methyl]ethanamide hydrochloride
MOLECULAR FORMULA: C31H38ClN3O
MOLECULAR WEIGHT: 504.10592
SMILES: CC(=O)NCC1(CCN(CC1)CCCN2C3=CC=CC=C3CCC4=CC=CC=C42)C5=CC=CC=C5.Cl
Structure:
CAS RN: 6074-35-7
CAS Name: N-methylcarbamic acid (2-methyl-4-thiocyanatophenyl) ester
OPENEYE Name: (2-methyl-4-thiocyanato-phenyl) N-methylcarbamate
IUPAC Name: (2-methyl-4-thiocyanatophenyl) N-methylcarbamate
SYSTEMATIC NAME: (2-methyl-4-thiocyanato-phenyl) N-methylcarbamate
MOLECULAR FORMULA: C10H10N2O2S
MOLECULAR WEIGHT: 222.2636
SMILES: CC1=C(C=CC(=C1)SC#N)OC(=O)NC
Structure:
CAS RN: 6071-99-4
CAS Name: 2-(tert-butylamino)-1,1-diphenylethanol
OPENEYE Name: 2-(tert-butylamino)-1,1-diphenyl-ethanol
IUPAC Name: 2-(tert-butylamino)-1,1-diphenylethanol
SYSTEMATIC NAME: 2-(tert-butylamino)-1,1-diphenyl-ethanol
MOLECULAR FORMULA: C18H23NO
MOLECULAR WEIGHT: 269.38132
SMILES: CC(C)(C)NCC(C1=CC=CC=C1)(C2=CC=CC=C2)O
Structure:
CAS RN: 6071-92-7
CAS Name: (1-methyl-4-piperidinyl)-diphenylmethanol
OPENEYE Name: (1-methyl-4-piperidyl)-diphenyl-methanol
IUPAC Name: (1-methylpiperidin-4-yl)-diphenylmethanol
SYSTEMATIC NAME: (1-methylpiperidin-4-yl)-diphenyl-methanol
MOLECULAR FORMULA: C19H23NO
MOLECULAR WEIGHT: 281.39202
SMILES: CN1CCC(CC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
Structure:
CAS RN: 6071-27-8
CAS Name: decane-1,3-diol
OPENEYE Name: decane-1,3-diol
IUPAC Name: decane-1,3-diol
SYSTEMATIC NAME: decane-1,3-diol
MOLECULAR FORMULA: C10H22O2
MOLECULAR WEIGHT: 174.28048
SMILES: CCCCCCCC(CCO)O
Structure:
CAS RN: 6062-16-4
CAS Name: 1-(4-phenylmethoxybut-2-ynyl)piperidine
OPENEYE Name: 1-(4-benzyloxybut-2-ynyl)piperidine
IUPAC Name: 1-(4-phenylmethoxybut-2-ynyl)piperidine
SYSTEMATIC NAME: 1-(4-phenylmethoxybut-2-ynyl)piperidine
MOLECULAR FORMULA: C16H21NO
MOLECULAR WEIGHT: 243.34404
SMILES: C1CCN(CC1)CC#CCOCC2=CC=CC=C2
Structure:
CAS RN: 6062-15-3
CAS Name: 1-(4-phenylmethoxybut-2-ynyl)pyrrolidine
OPENEYE Name: 1-(4-benzyloxybut-2-ynyl)pyrrolidine
IUPAC Name: 1-(4-phenylmethoxybut-2-ynyl)pyrrolidine
SYSTEMATIC NAME: 1-(4-phenylmethoxybut-2-ynyl)pyrrolidine
MOLECULAR FORMULA: C15H19NO
MOLECULAR WEIGHT: 229.31746
SMILES: C1CCN(C1)CC#CCOCC2=CC=CC=C2
Structure:
CAS RN: 6062-10-8
CAS Name: 1-[4-(diphenylmethyl)oxybut-2-ynyl]pyrrolidine hydrochloride
OPENEYE Name: 1-(4-benzhydryloxybut-2-ynyl)pyrrolidine hydrochloride
IUPAC Name: 1-(4-benzhydryloxybut-2-ynyl)pyrrolidine hydrochloride
SYSTEMATIC NAME: 1-[4-(diphenylmethyl)oxybut-2-ynyl]pyrrolidine hydrochloride
MOLECULAR FORMULA: C21H24ClNO
MOLECULAR WEIGHT: 341.87436
SMILES: C1CCN(C1)CC#CCOC(C2=CC=CC=C2)C3=CC=CC=C3.Cl
Structure:
CAS RN: 6059-17-2
CAS Name: 4-amino-2-hydroxybenzoic acid ethyl ester
OPENEYE Name: ethyl 4-amino-2-hydroxy-benzoate
IUPAC Name: ethyl 4-amino-2-hydroxybenzoate
SYSTEMATIC NAME: ethyl 4-azanyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C9H11NO3
MOLECULAR WEIGHT: 181.18854
SMILES: CCOC(=O)C1=C(C=C(C=C1)N)O
Structure:
CAS RN: 6047-24-1
CAS Name: 2-hydroxypropanoate; iron(2+); trihydrate
OPENEYE Name: ferrous 2-hydroxypropanoate trihydrate
IUPAC Name: 2-hydroxypropanoate; iron(2+); trihydrate
SYSTEMATIC NAME: iron(2+); 2-oxidanylpropanoate; trihydrate
MOLECULAR FORMULA: C6H16FeO9
MOLECULAR WEIGHT: 288.03084
SMILES: CC(C(=O)[O-])O.CC(C(=O)[O-])O.O.O.O.[Fe+2]
Structure:
CAS RN: 6046-53-3
CAS Name: 3-[(3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-10,13-dimethyl-3-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
OPENEYE Name: 3-[(3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-10,13-dimethyl-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC Name: 3-[(3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-10,13-dimethyl-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3S,5R,8R,9S,10S,13R,17R)-10,13-dimethyl-3-[(2S,3S,4S,5S,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C29H44O8
MOLECULAR WEIGHT: 520.65486
SMILES: C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5(C4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)O)O
Structure:
CAS RN: 6045-93-8
CAS Name: 1-(4-morpholinyl)-4-phenylbutane-1,4-dione
OPENEYE Name: 1-morpholino-4-phenyl-butane-1,4-dione
IUPAC Name: 1-morpholin-4-yl-4-phenylbutane-1,4-dione
SYSTEMATIC NAME: 1-morpholin-4-yl-4-phenyl-butane-1,4-dione
MOLECULAR FORMULA: C14H17NO3
MOLECULAR WEIGHT: 247.28968
SMILES: C1COCCN1C(=O)CCC(=O)C2=CC=CC=C2
Structure:
CAS RN: 6036-90-4
CAS Name: N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-oxo-4-pyrimidinyl]-4-methylbenzamide
OPENEYE Name: N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]-4-methyl-benzamide
IUPAC Name: N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methylbenzamide
SYSTEMATIC NAME: N-[5-fluoranyl-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]-4-methyl-benzamide
MOLECULAR FORMULA: C17H18FN3O5
MOLECULAR WEIGHT: 363.340323
SMILES: CC1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2F)[C@H]3C[C@@H]([C@H](O3)CO)O
Structure:
CAS RN: 6032-95-7
CAS Name: 6-(4-oxo-2-thiazolidinyl)hexanoic acid methyl ester
OPENEYE Name: methyl 6-(4-oxothiazolidin-2-yl)hexanoate
IUPAC Name: methyl 6-(4-oxo-1,3-thiazolidin-2-yl)hexanoate
SYSTEMATIC NAME: methyl 6-(4-oxidanylidene-1,3-thiazolidin-2-yl)hexanoate
MOLECULAR FORMULA: C10H17NO3S
MOLECULAR WEIGHT: 231.31188
SMILES: COC(=O)CCCCCC1NC(=O)CS1
Structure:
CAS RN: 6032-82-2
CAS Name: 2-[3-(1H-imidazol-5-yl)-1-oxoprop-2-enoxy]ethyl-trimethylammonium chloride hydrochloride
OPENEYE Name: 2-[3-(1H-imidazol-5-yl)prop-2-enoyloxy]ethyl-trimethyl-ammonium chloride hydrochloride
IUPAC Name: 2-[3-(1H-imidazol-5-yl)prop-2-enoyloxy]ethyl-trimethylazanium chloride hydrochloride
SYSTEMATIC NAME: 2-[3-(1H-imidazol-5-yl)prop-2-enoyloxy]ethyl-trimethyl-azanium chloride hydrochloride
MOLECULAR FORMULA: C11H19Cl2N3O2
MOLECULAR WEIGHT: 296.19346
SMILES: C[N+](C)(C)CCOC(=O)C=CC1=CN=CN1.Cl.[Cl-]
Structure:
CAS RN: 6029-54-5
CAS Name: 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1-piperazinyl]methyl]phenol
OPENEYE Name: 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]piperazin-1-yl]methyl]phenol
IUPAC Name: 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenol
SYSTEMATIC NAME: 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]piperazin-1-yl]methyl]phenol
MOLECULAR FORMULA: C34H54N2O2
MOLECULAR WEIGHT: 522.80476
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2CCN(CC2)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C
Structure:
CAS RN: 6027-10-7
CAS Name: 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid ethyl ester hydrobromide
OPENEYE Name: ethyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate hydrobromide
IUPAC Name: ethyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate hydrobromide
SYSTEMATIC NAME: ethyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate hydrobromide
MOLECULAR FORMULA: C9H16BrNO2
MOLECULAR WEIGHT: 250.13284
SMILES: CCOC(=O)C1=CCCN(C1)C.Br
Structure:
CAS RN: 6024-65-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H22ClNO5
MOLECULAR WEIGHT: 367.82398
SMILES: CN1C[C@@]2(C3([C@@H]1C[C@@H](C=C3)OC)C4=CC5=C(C=C4CO2)OCO5)O.Cl
Structure:
CAS RN: 6022-42-0
CAS Name: 3-pyridinecarboxylic acid 2-[bis[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]ethyl ester hydrochloride
OPENEYE Name: 2-[bis[2-[(1,1-dimethyl-2-phenyl-ethyl)-methyl-amino]-2-oxo-ethyl]amino]ethyl pyridine-3-carboxylate hydrochloride
IUPAC Name: 2-[bis[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]ethyl pyridine-3-carboxylate hydrochloride
SYSTEMATIC NAME: 2-[bis[2-[methyl-(2-methyl-1-phenyl-propan-2-yl)amino]-2-oxidanylidene-ethyl]amino]ethyl pyridine-3-carboxylate hydrochloride
MOLECULAR FORMULA: C34H45ClN4O4
MOLECULAR WEIGHT: 609.1985
SMILES: CC(C)(CC1=CC=CC=C1)N(C)C(=O)CN(CCOC(=O)C2=CN=CC=C2)CC(=O)N(C)C(C)(C)CC3=CC=CC=C3.Cl
Structure:
CAS RN: 6018-21-9
CAS Name: 4-amino-2-hydroxybenzoic acid propan-2-yl ester
OPENEYE Name: isopropyl 4-amino-2-hydroxy-benzoate
IUPAC Name: propan-2-yl 4-amino-2-hydroxybenzoate
SYSTEMATIC NAME: propan-2-yl 4-azanyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C10H13NO3
MOLECULAR WEIGHT: 195.21512
SMILES: CC(C)OC(=O)C1=C(C=C(C=C1)N)O
Structure:
CAS RN: 6015-35-6
CAS Name: 2-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)pyridine
OPENEYE Name: 2-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)pyridine
IUPAC Name: 2-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)pyridine
SYSTEMATIC NAME: 2-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)pyridine
MOLECULAR FORMULA: C22H19NO
MOLECULAR WEIGHT: 313.39236
SMILES: COC1=CC2=C(C=C1)C(=C(CC2)C3=CC=CC=C3)C4=CC=CC=N4
Structure:
CAS RN: 6013-57-6
CAS Name: 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid hydrobromide
OPENEYE Name: 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid hydrobromide
IUPAC Name: 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid hydrobromide
SYSTEMATIC NAME: 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid hydrobromide
MOLECULAR FORMULA: C7H12BrNO2
MOLECULAR WEIGHT: 222.07968
SMILES: CN1CCC=C(C1)C(=O)O.Br
Structure:
CAS RN: 6012-87-9
CAS Name: (2-chloro-4-nitrophenoxy)-diethoxy-sulfanylidenephosphorane
OPENEYE Name: (2-chloro-4-nitro-phenoxy)-diethoxy-thioxo-$l^{5}-phosphane
IUPAC Name: (2-chloro-4-nitrophenoxy)-diethoxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: (2-chloranyl-4-nitro-phenoxy)-diethoxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C10H13ClNO5PS
MOLECULAR WEIGHT: 325.705681
SMILES: CCOP(=S)(OCC)OC1=C(C=C(C=C1)[N+](=O)[O-])Cl
Structure:
CAS RN: 6012-78-8
CAS Name: 2-tert-butyl-6-[(3-tert-butyl-5-chloro-2-hydroxyphenyl)thio]-4-chlorophenol
OPENEYE Name: 2-tert-butyl-6-(3-tert-butyl-5-chloro-2-hydroxy-phenyl)sulfanyl-4-chloro-phenol
IUPAC Name: 2-tert-butyl-6-(3-tert-butyl-5-chloro-2-hydroxyphenyl)sulfanyl-4-chlorophenol
SYSTEMATIC NAME: 2-tert-butyl-6-(3-tert-butyl-5-chloranyl-2-oxidanyl-phenyl)sulfanyl-4-chloranyl-phenol
MOLECULAR FORMULA: C20H24Cl2O2S
MOLECULAR WEIGHT: 399.37436
SMILES: CC(C)(C)C1=CC(=CC(=C1O)SC2=C(C(=CC(=C2)Cl)C(C)(C)C)O)Cl
Structure:
No comments:
Post a Comment