CAS RN: 97171-75-0
CAS Name: disodium 1-phenyl-3-[4-(2-pyrimidinylsulfamoyl)anilino]propane-1,3-disulfonate
OPENEYE Name: disodium 1-phenyl-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]propane-1,3-disulfonate
IUPAC Name: disodium 1-phenyl-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]propane-1,3-disulfonate
SYSTEMATIC NAME: disodium 1-phenyl-3-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]amino]propane-1,3-disulfonate
MOLECULAR FORMULA: C19H18N4Na2O8S3
MOLECULAR WEIGHT: 572.54276
SMILES: C1=CC=C(C=C1)C(CC(NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 97158-27-5
CAS Name: disodium 1-phenyl-3-[4-(2-thiazolylsulfamoyl)anilino]propane-1,3-disulfonate
OPENEYE Name: disodium 1-phenyl-3-[4-(thiazol-2-ylsulfamoyl)anilino]propane-1,3-disulfonate
IUPAC Name: disodium 1-phenyl-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propane-1,3-disulfonate
SYSTEMATIC NAME: disodium 1-phenyl-3-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]amino]propane-1,3-disulfonate
MOLECULAR FORMULA: C18H17N3Na2O8S4
MOLECULAR WEIGHT: 577.58242
SMILES: C1=CC=C(C=C1)C(CC(NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 96846-76-3
CAS Name: 3-methylbutanoic acid (2-methyl-6-methyleneoctan-2-yl) ester
OPENEYE Name: (1,1-dimethyl-5-methylene-heptyl) 3-methylbutanoate
IUPAC Name: (2-methyl-6-methylideneoctan-2-yl) 3-methylbutanoate
SYSTEMATIC NAME: (2-methyl-6-methylidene-octan-2-yl) 3-methylbutanoate
MOLECULAR FORMULA: C15H28O2
MOLECULAR WEIGHT: 240.38162
SMILES: CCC(=C)CCCC(C)(C)OC(=O)CC(C)C
Structure:
CAS RN: 96846-67-2
CAS Name: butanoic acid (2-methyl-6-methyleneoctan-2-yl) ester
OPENEYE Name: (1,1-dimethyl-5-methylene-heptyl) butanoate
IUPAC Name: (2-methyl-6-methylideneoctan-2-yl) butanoate
SYSTEMATIC NAME: (2-methyl-6-methylidene-octan-2-yl) butanoate
MOLECULAR FORMULA: C14H26O2
MOLECULAR WEIGHT: 226.35504
SMILES: CCCC(=O)OC(C)(C)CCCC(=C)CC
Structure:
CAS RN: 96846-65-0
CAS Name: pentanoic acid (2-methyl-6-methyleneoctan-2-yl) ester
OPENEYE Name: (1,1-dimethyl-5-methylene-heptyl) pentanoate
IUPAC Name: (2-methyl-6-methylideneoctan-2-yl) pentanoate
SYSTEMATIC NAME: (2-methyl-6-methylidene-octan-2-yl) pentanoate
MOLECULAR FORMULA: C15H28O2
MOLECULAR WEIGHT: 240.38162
SMILES: CCCCC(=O)OC(C)(C)CCCC(=C)CC
Structure:
CAS RN: 96846-64-9
CAS Name: 2-methylpropanoic acid (2-methyl-6-methyleneoctan-2-yl) ester
OPENEYE Name: (1,1-dimethyl-5-methylene-heptyl) 2-methylpropanoate
IUPAC Name: (2-methyl-6-methylideneoctan-2-yl) 2-methylpropanoate
SYSTEMATIC NAME: (2-methyl-6-methylidene-octan-2-yl) 2-methylpropanoate
MOLECULAR FORMULA: C14H26O2
MOLECULAR WEIGHT: 226.35504
SMILES: CCC(=C)CCCC(C)(C)OC(=O)C(C)C
Structure:
CAS RN: 96619-87-3
CAS Name: butanoic acid (1-methoxy-1-oxopropan-2-yl) ester
OPENEYE Name: (2-methoxy-1-methyl-2-oxo-ethyl) butanoate
IUPAC Name: (1-methoxy-1-oxopropan-2-yl) butanoate
SYSTEMATIC NAME: (1-methoxy-1-oxidanylidene-propan-2-yl) butanoate
MOLECULAR FORMULA: C8H14O4
MOLECULAR WEIGHT: 174.19436
SMILES: CCCC(=O)OC(C)C(=O)OC
Structure:
CAS RN: 96543-92-9
CAS Name: [3-(1,3-benzodioxol-5-yl)-3-oxopropyl]-trimethylammonium iodide
OPENEYE Name: [3-(1,3-benzodioxol-5-yl)-3-oxo-propyl]-trimethyl-ammonium iodide
IUPAC Name: [3-(1,3-benzodioxol-5-yl)-3-oxopropyl]-trimethylazanium iodide
SYSTEMATIC NAME: [3-(1,3-benzodioxol-5-yl)-3-oxidanylidene-propyl]-trimethyl-azanium iodide
MOLECULAR FORMULA: C13H18INO3
MOLECULAR WEIGHT: 363.19139
SMILES: C[N+](C)(C)CCC(=O)C1=CC2=C(C=C1)OCO2.[I-]
Structure:
CAS RN: 96507-75-4
CAS Name: 2-methyl-2-nonylundecanoic acid [3-[bis(2-hydroxypropyl)amino]-2-hydroxypropyl] ester
OPENEYE Name: [3-[bis(2-hydroxypropyl)amino]-2-hydroxy-propyl] 2-methyl-2-nonyl-undecanoate
IUPAC Name: [3-[bis(2-hydroxypropyl)amino]-2-hydroxypropyl] 2-methyl-2-nonylundecanoate
SYSTEMATIC NAME: [3-[bis(2-oxidanylpropyl)amino]-2-oxidanyl-propyl] 2-methyl-2-nonyl-undecanoate
MOLECULAR FORMULA: C30H61NO5
MOLECULAR WEIGHT: 515.80904
SMILES: CCCCCCCCCC(C)(CCCCCCCCC)C(=O)OCC(CN(CC(C)O)CC(C)O)O
Structure:
CAS RN: 96507-74-3
CAS Name: 2-methyl-2-nonylundecanoic acid [3-[[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]amino]-2-hydroxypropyl] ester
OPENEYE Name: [3-[[3-(aminomethyl)-3,5,5-trimethyl-cyclohexyl]amino]-2-hydroxy-propyl] 2-methyl-2-nonyl-undecanoate
IUPAC Name: [3-[[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]amino]-2-hydroxypropyl] 2-methyl-2-nonylundecanoate
SYSTEMATIC NAME: [3-[[3-(aminomethyl)-3,5,5-trimethyl-cyclohexyl]amino]-2-oxidanyl-propyl] 2-methyl-2-nonyl-undecanoate
MOLECULAR FORMULA: C34H68N2O3
MOLECULAR WEIGHT: 552.91532
SMILES: CCCCCCCCCC(C)(CCCCCCCCC)C(=O)OCC(CNC1CC(CC(C1)(C)CN)(C)C)O
Structure:
CAS RN: 96507-73-2
CAS Name: 2-methyl-2-nonylundecanoic acid [3-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-2-hydroxypropyl] ester
OPENEYE Name: [3-[(5-amino-1,3,3-trimethyl-cyclohexyl)methylamino]-2-hydroxy-propyl] 2-methyl-2-nonyl-undecanoate
IUPAC Name: [3-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-2-hydroxypropyl] 2-methyl-2-nonylundecanoate
SYSTEMATIC NAME: [3-[(5-azanyl-1,3,3-trimethyl-cyclohexyl)methylamino]-2-oxidanyl-propyl] 2-methyl-2-nonyl-undecanoate
MOLECULAR FORMULA: C34H68N2O3
MOLECULAR WEIGHT: 552.91532
SMILES: CCCCCCCCCC(C)(CCCCCCCCC)C(=O)OCC(CNCC1(CC(CC(C1)(C)C)N)C)O
Structure:
CAS RN: 96446-10-5
CAS Name: 4-(2-furanyl)butanethioic acid S-ethyl ester
OPENEYE Name: S-ethyl 4-(2-furyl)butanethioate
IUPAC Name: S-ethyl 4-(furan-2-yl)butanethioate
SYSTEMATIC NAME: S-ethyl 4-(furan-2-yl)butanethioate
MOLECULAR FORMULA: C10H14O2S
MOLECULAR WEIGHT: 198.28196
SMILES: CCSC(=O)CCCC1=CC=CO1
Structure:
CAS RN: 95315-83-6
CAS Name: N-[2-(dimethylamino)propyl]-N-thiophen-2-ylpropanamide; 2,4,6-trinitrophenolate
OPENEYE Name: N-[2-(dimethylamino)propyl]-N-(2-thienyl)propanamide; 2,4,6-trinitrophenolate
IUPAC Name: N-[2-(dimethylamino)propyl]-N-thiophen-2-ylpropanamide; 2,4,6-trinitrophenolate
SYSTEMATIC NAME: N-[2-(dimethylamino)propyl]-N-thiophen-2-yl-propanamide; 2,4,6-trinitrophenolate
MOLECULAR FORMULA: C18H22N5O8S-
MOLECULAR WEIGHT: 468.46098
SMILES: CCC(=O)N(CC(C)N(C)C)C1=CC=CS1.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 95133-28-1
CAS Name: 2-hydroxy-2,2-diphenylacetic acid 4-(diethylamino)but-2-ynyl ester hydrochloride
OPENEYE Name: 4-(diethylamino)but-2-ynyl 2-hydroxy-2,2-diphenyl-acetate hydrochloride
IUPAC Name: 4-(diethylamino)but-2-ynyl 2-hydroxy-2,2-diphenylacetate hydrochloride
SYSTEMATIC NAME: 4-(diethylamino)but-2-ynyl 2-oxidanyl-2,2-diphenyl-ethanoate hydrochloride
MOLECULAR FORMULA: C22H26ClNO3
MOLECULAR WEIGHT: 387.89974
SMILES: CCN(CC)CC#CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.Cl
Structure:
CAS RN: 95046-24-5
CAS Name: 2-methyl-2-nonylundecanoic acid [3-[4-[(4-aminophenyl)methyl]anilino]-2-hydroxypropyl] ester
OPENEYE Name: [3-[4-[(4-aminophenyl)methyl]anilino]-2-hydroxy-propyl] 2-methyl-2-nonyl-undecanoate
IUPAC Name: [3-[4-[(4-aminophenyl)methyl]anilino]-2-hydroxypropyl] 2-methyl-2-nonylundecanoate
SYSTEMATIC NAME: [3-[[4-[(4-aminophenyl)methyl]phenyl]amino]-2-oxidanyl-propyl] 2-methyl-2-nonyl-undecanoate
MOLECULAR FORMULA: C37H60N2O3
MOLECULAR WEIGHT: 580.8839
SMILES: CCCCCCCCCC(C)(CCCCCCCCC)C(=O)OCC(CNC1=CC=C(C=C1)CC2=CC=C(C=C2)N)O
Structure:
CAS RN: 94868-66-3
CAS Name: 2-(diethylamino)-N-(3,4-dimethyl-5-isoxazolyl)pentanamide; 2,4,6-trinitrophenolate
OPENEYE Name: 2-(diethylamino)-N-(3,4-dimethylisoxazol-5-yl)pentanamide; 2,4,6-trinitrophenolate
IUPAC Name: 2-(diethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pentanamide; 2,4,6-trinitrophenolate
SYSTEMATIC NAME: 2-(diethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pentanamide; 2,4,6-trinitrophenolate
MOLECULAR FORMULA: C20H27N6O9-
MOLECULAR WEIGHT: 495.46318
SMILES: CCCC(C(=O)NC1=C(C(=NO1)C)C)N(CC)CC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 94773-15-6
CAS Name: 3-acetyloxy-4-methoxybenzeneselenonic acid
OPENEYE Name: 3-acetoxy-4-methoxy-benzeneselenonic acid
IUPAC Name: 3-acetyloxy-4-methoxybenzeneselenonic acid
SYSTEMATIC NAME: 3-acetyloxy-4-methoxy-benzeneselenonic acid
MOLECULAR FORMULA: C9H10O6Se
MOLECULAR WEIGHT: 293.1321
SMILES: CC(=O)OC1=C(C=CC(=C1)[Se](=O)(=O)O)OC
Structure:
CAS RN: 94442-09-8
CAS Name: 2-methyl-2-nonylundecanoic acid [3-[[4-(aminomethyl)phenyl]methylamino]-2-hydroxypropyl] ester
OPENEYE Name: [3-[[4-(aminomethyl)phenyl]methylamino]-2-hydroxy-propyl] 2-methyl-2-nonyl-undecanoate
IUPAC Name: [3-[[4-(aminomethyl)phenyl]methylamino]-2-hydroxypropyl] 2-methyl-2-nonylundecanoate
SYSTEMATIC NAME: [3-[[4-(aminomethyl)phenyl]methylamino]-2-oxidanyl-propyl] 2-methyl-2-nonyl-undecanoate
MOLECULAR FORMULA: C32H58N2O3
MOLECULAR WEIGHT: 518.81452
SMILES: CCCCCCCCCC(C)(CCCCCCCCC)C(=O)OCC(CNCC1=CC=C(C=C1)CN)O
Structure:
CAS RN: 94442-08-7
CAS Name: 2-methyl-2-nonylundecanoic acid [3-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]-2-hydroxypropyl] ester
OPENEYE Name: [3-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]-2-hydroxy-propyl] 2-methyl-2-nonyl-undecanoate
IUPAC Name: [3-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]-2-hydroxypropyl] 2-methyl-2-nonylundecanoate
SYSTEMATIC NAME: [3-[2-[2-(2-azanylethylamino)ethylamino]ethylamino]-2-oxidanyl-propyl] 2-methyl-2-nonyl-undecanoate
MOLECULAR FORMULA: C30H64N4O3
MOLECULAR WEIGHT: 528.85416
SMILES: CCCCCCCCCC(C)(CCCCCCCCC)C(=O)OCC(CNCCNCCNCCN)O
Structure:
CAS RN: 94355-83-6
CAS Name: N-[(E)-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]amino]-9-acridinamine
OPENEYE Name: N-[(E)-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]amino]acridin-9-amine
IUPAC Name: N-[(E)-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]amino]acridin-9-amine
SYSTEMATIC NAME: N-[(E)-[(Z)-2-chloranyl-3-(4-nitrophenyl)prop-2-enylidene]amino]acridin-9-amine
MOLECULAR FORMULA: C22H15ClN4O2
MOLECULAR WEIGHT: 402.8331
SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N/N=C/C(=C/C4=CC=C(C=C4)[N+](=O)[O-])/Cl
Structure:
CAS RN: 94349-53-8
CAS Name: 4-(3-amino-4-methylphenyl)sulfonyloxybenzoic acid methyl ester
OPENEYE Name: methyl 4-(3-amino-4-methyl-phenyl)sulfonyloxybenzoate
IUPAC Name: methyl 4-(3-amino-4-methylphenyl)sulfonyloxybenzoate
SYSTEMATIC NAME: methyl 4-(3-azanyl-4-methyl-phenyl)sulfonyloxybenzoate
MOLECULAR FORMULA: C15H15NO5S
MOLECULAR WEIGHT: 321.3483
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OC)N
Structure:
CAS RN: 94349-46-9
CAS Name: 4-[ethyl(2-hydroxyethyl)amino]-3-methylbenzenediazonium hexafluorophosphate
OPENEYE Name: 4-[ethyl(2-hydroxyethyl)amino]-3-methyl-benzenediazonium hexafluorophosphate
IUPAC Name: 4-[ethyl(2-hydroxyethyl)amino]-3-methylbenzenediazonium hexafluorophosphate
SYSTEMATIC NAME: 4-[ethyl(2-hydroxyethyl)amino]-3-methyl-benzenediazonium hexafluorophosphate
MOLECULAR FORMULA: C11H16F6N3OP
MOLECULAR WEIGHT: 351.22842
SMILES: CCN(CCO)C1=C(C=C(C=C1)[N+]#N)C.F[P-](F)(F)(F)(F)F
Structure:
CAS RN: 94349-45-8
CAS Name: 4,4-dimethyl-2-oxo-5,6,7,8-tetrahydro-3H-1-benzopyran-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4,4-dimethyl-2-oxo-5,6,7,8-tetrahydro-3H-chromene-3-carboxylate
IUPAC Name: ethyl 4,4-dimethyl-2-oxo-5,6,7,8-tetrahydro-3H-chromene-3-carboxylate
SYSTEMATIC NAME: ethyl 4,4-dimethyl-2-oxidanylidene-5,6,7,8-tetrahydro-3H-chromene-3-carboxylate
MOLECULAR FORMULA: C14H20O4
MOLECULAR WEIGHT: 252.3062
SMILES: CCOC(=O)C1C(=O)OC2=C(C1(C)C)CCCC2
Structure:
CAS RN: 94313-83-4
CAS Name: 1-(2-butoxyethylamino)-4-hydroxyanthracene-9,10-dione
OPENEYE Name: 1-(2-butoxyethylamino)-4-hydroxy-anthracene-9,10-dione
IUPAC Name: 1-(2-butoxyethylamino)-4-hydroxyanthracene-9,10-dione
SYSTEMATIC NAME: 1-(2-butoxyethylamino)-4-oxidanyl-anthracene-9,10-dione
MOLECULAR FORMULA: C20H21NO4
MOLECULAR WEIGHT: 339.38504
SMILES: CCCCOCCNC1=C2C(=C(C=C1)O)C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 94313-82-3
CAS Name: 1-(2-ethoxyethylamino)-4-hydroxyanthracene-9,10-dione
OPENEYE Name: 1-(2-ethoxyethylamino)-4-hydroxy-anthracene-9,10-dione
IUPAC Name: 1-(2-ethoxyethylamino)-4-hydroxyanthracene-9,10-dione
SYSTEMATIC NAME: 1-(2-ethoxyethylamino)-4-oxidanyl-anthracene-9,10-dione
MOLECULAR FORMULA: C18H17NO4
MOLECULAR WEIGHT: 311.33188
SMILES: CCOCCNC1=C2C(=C(C=C1)O)C(=O)C3=CC=CC=C3C2=O
Structure:
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