CAS RN: 65733-82-6
CAS Name: 4-tert-butylphenol; formaldehyde; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 4-(2,4,4-trimethylpentan-2-yl)phenol
OPENEYE Name: 4-tert-butylphenol; formaldehyde; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; 4-(1,1,3,3-tetramethylbutyl)phenol
IUPAC Name: 4-tert-butylphenol; formaldehyde; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 4-(2,4,4-trimethylpentan-2-yl)phenol
SYSTEMATIC NAME: 4-tert-butylphenol; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; methanal; 4-(2,4,4-trimethylpentan-2-yl)phenol
MOLECULAR FORMULA: C40H54O5
MOLECULAR WEIGHT: 614.85376
SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O.CC(C)(C)C1=CC=C(C=C1)O.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C=O
Structure:
CAS RN: 65733-81-5
CAS Name: 4-tert-butylphenol; formaldehyde; 3-methylphenol; 4-methylphenol
OPENEYE Name: 4-tert-butylphenol; formaldehyde; m-cresol; p-cresol
IUPAC Name: 4-tert-butylphenol; formaldehyde; 3-methylphenol; 4-methylphenol
SYSTEMATIC NAME: 4-tert-butylphenol; methanal; 3-methylphenol; 4-methylphenol
MOLECULAR FORMULA: C25H32O4
MOLECULAR WEIGHT: 396.51918
SMILES: CC1=CC=C(C=C1)O.CC1=CC(=CC=C1)O.CC(C)(C)C1=CC=C(C=C1)O.C=O
Structure:
CAS RN: 65733-79-1
CAS Name: 1-methyl-4-(1-methylethenyl)cyclohexene; phenol; 4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
OPENEYE Name: 4-isopropenyl-1-methyl-cyclohexene; phenol; 4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
IUPAC Name: 1-methyl-4-prop-1-en-2-ylcyclohexene; phenol; 4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
SYSTEMATIC NAME: 1-methyl-4-prop-1-en-2-yl-cyclohexene; phenol; 4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
MOLECULAR FORMULA: C26H38O
MOLECULAR WEIGHT: 366.57932
SMILES: CC1=CCC(CC1)C(=C)C.CC1=CCC2CC1C2(C)C.C1=CC=C(C=C1)O
Structure:
CAS RN: 65733-74-6
CAS Name: 2-(chloromethyl)oxirane; formaldehyde; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 4-(2,4,4-trimethylpentan-2-yl)phenol
OPENEYE Name: 2-(chloromethyl)oxirane; formaldehyde; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; 4-(1,1,3,3-tetramethylbutyl)phenol
IUPAC Name: 2-(chloromethyl)oxirane; formaldehyde; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 4-(2,4,4-trimethylpentan-2-yl)phenol
SYSTEMATIC NAME: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; methanal; 4-(2,4,4-trimethylpentan-2-yl)phenol
MOLECULAR FORMULA: C33H45ClO5
MOLECULAR WEIGHT: 557.1604
SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C=O.C1C(O1)CCl
Structure:
CAS RN: 65733-73-5
CAS Name: formaldehyde; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 4-(2-methylbutan-2-yl)phenol
OPENEYE Name: 4-(1,1-dimethylpropyl)phenol; formaldehyde; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol
IUPAC Name: formaldehyde; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 4-(2-methylbutan-2-yl)phenol
SYSTEMATIC NAME: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; methanal; 4-(2-methylbutan-2-yl)phenol
MOLECULAR FORMULA: C27H34O4
MOLECULAR WEIGHT: 422.55646
SMILES: CCC(C)(C)C1=CC=C(C=C1)O.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C=O
Structure:
CAS RN: 65720-39-0
CAS Name: 2-[[5-[3-[3-[[carboxymethyl(methyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-methylamino]acetic acid
OPENEYE Name: 2-[[5-[3-[3-[[carboxymethyl(methyl)amino]methyl]-4-hydroxy-5-methyl-phenyl]-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-2-hydroxy-3-methyl-phenyl]methyl-methyl-amino]acetic acid
IUPAC Name: 2-[[5-[3-[3-[[carboxymethyl(methyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-methylamino]acetic acid
SYSTEMATIC NAME: 2-[[5-[3-[3-[[2-hydroxy-2-oxoethyl(methyl)amino]methyl]-5-methyl-4-oxidanyl-phenyl]-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-3-yl]-3-methyl-2-oxidanyl-phenyl]methyl-methyl-amino]ethanoic acid
MOLECULAR FORMULA: C29H32N2O9S
MOLECULAR WEIGHT: 584.63738
SMILES: CC1=C(C(=CC(=C1)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)CN(C)CC(=O)O)O)C)CN(C)CC(=O)O)O
Structure:
CAS RN: 65720-07-2
CAS Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-pyrrolidinyl)ethyl ester hydrochloride
OPENEYE Name: 2-pyrrolidin-1-ylethyl N-(2-heptoxyphenyl)carbamate hydrochloride
IUPAC Name: 2-pyrrolidin-1-ylethyl N-(2-heptoxyphenyl)carbamate hydrochloride
SYSTEMATIC NAME: 2-pyrrolidin-1-ylethyl N-(2-heptoxyphenyl)carbamate hydrochloride
MOLECULAR FORMULA: C20H33ClN2O3
MOLECULAR WEIGHT: 384.94062
SMILES: CCCCCCCOC1=CC=CC=C1NC(=O)OCCN2CCCC2.Cl
Structure:
CAS RN: 65722-29-4
CAS Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-pyrrolidinyl)ethyl ester hydrochloride
OPENEYE Name: 2-pyrrolidin-1-ylethyl N-(2-heptoxyphenyl)carbamate hydrochloride
IUPAC Name: 2-pyrrolidin-1-ylethyl N-(2-heptoxyphenyl)carbamate hydrochloride
SYSTEMATIC NAME: 2-pyrrolidin-1-ylethyl N-(2-heptoxyphenyl)carbamate hydrochloride
MOLECULAR FORMULA: C20H33ClN2O3
MOLECULAR WEIGHT: 384.94062
SMILES: CCCCCCCOC1=CC=CC=C1NC(=O)OCCN2CCCC2.Cl
Structure:
CAS RN: 65717-97-7
CAS Name: 2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid
OPENEYE Name: 2-[carboxymethyl-[2-(2,6-diisopropylanilino)-2-oxo-ethyl]amino]acetic acid
IUPAC Name: 2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]-(2-hydroxy-2-oxoethyl)amino]ethanoic acid
MOLECULAR FORMULA: C18H26N2O5
MOLECULAR WEIGHT: 350.40944
SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CN(CC(=O)O)CC(=O)O
Structure:
CAS RN: 62046-91-7
CAS Name: 3-[4-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-1-piperazinyl]-2-methyl-1-phenyl-1-propanone dihydrochloride
OPENEYE Name: 3-[4-[(2R,3R)-3-hydroxytetralin-2-yl]piperazin-1-yl]-2-methyl-1-phenyl-propan-1-one dihydrochloride
IUPAC Name: 3-[4-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one dihydrochloride
SYSTEMATIC NAME: 2-methyl-3-[4-[(2R,3R)-3-oxidanyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-1-phenyl-propan-1-one dihydrochloride
MOLECULAR FORMULA: C24H32Cl2N2O2
MOLECULAR WEIGHT: 451.42908
SMILES: CC(CN1CCN(CC1)[C@@H]2CC3=CC=CC=C3C[C@H]2O)C(=O)C4=CC=CC=C4.Cl.Cl
Structure:
CAS RN: 65708-80-7
CAS Name: 3-[4-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-1-piperazinyl]-2-methyl-1-phenyl-1-propanone dihydrochloride
OPENEYE Name: 3-[4-[(2R,3R)-3-hydroxytetralin-2-yl]piperazin-1-yl]-2-methyl-1-phenyl-propan-1-one dihydrochloride
IUPAC Name: 3-[4-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one dihydrochloride
SYSTEMATIC NAME: 2-methyl-3-[4-[(2R,3R)-3-oxidanyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-1-phenyl-propan-1-one dihydrochloride
MOLECULAR FORMULA: C24H32Cl2N2O2
MOLECULAR WEIGHT: 451.42908
SMILES: CC(CN1CCN(CC1)[C@@H]2CC3=CC=CC=C3C[C@H]2O)C(=O)C4=CC=CC=C4.Cl.Cl
Structure:
CAS RN: 65700-35-8
CAS Name: ethane-1,2-diol; furan-2,5-dione; 3-(3-hydroxypropoxy)-1-propanol; isobenzofuran-1,3-dione
OPENEYE Name: ethylene glycol; furan-2,5-dione; 3-(3-hydroxypropoxy)propan-1-ol; isobenzofuran-1,3-dione
IUPAC Name: 2-benzofuran-1,3-dione; ethane-1,2-diol; furan-2,5-dione; 3-(3-hydroxypropoxy)propan-1-ol
SYSTEMATIC NAME: 2-benzofuran-1,3-dione; ethane-1,2-diol; furan-2,5-dione; 3-(3-oxidanylpropoxy)propan-1-ol
MOLECULAR FORMULA: C20H26O11
MOLECULAR WEIGHT: 442.41384
SMILES: C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=O)OC1=O.C(CO)COCCCO.C(CO)O
Structure:
CAS RN: 65697-89-4
CAS Name: 5-(2-methylphenyl)-3-(4-methylphenyl)-1H-1,2,4-triazole
OPENEYE Name: 5-(o-tolyl)-3-(p-tolyl)-1H-1,2,4-triazole
IUPAC Name: 5-(2-methylphenyl)-3-(4-methylphenyl)-1H-1,2,4-triazole
SYSTEMATIC NAME: 5-(2-methylphenyl)-3-(4-methylphenyl)-1H-1,2,4-triazole
MOLECULAR FORMULA: C16H15N3
MOLECULAR WEIGHT: 249.3104
SMILES: CC1=CC=C(C=C1)C2=NNC(=N2)C3=CC=CC=C3C
Structure:
CAS RN: 65681-32-5
CAS Name: (3S,5S,8R,9S,10S,13R,14S,17R)-3-[[(3S,4R,6S)-3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde
OPENEYE Name: (3S,5S,8R,9S,10S,13R,14S,17R)-3-[(3S,4R,6S)-3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
IUPAC Name: (3S,5S,8R,9S,10S,13R,14S,17R)-3-[(3S,4R,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
SYSTEMATIC NAME: (3S,5S,8R,9S,10S,13R,14S,17R)-3-[(3S,4R,6S)-4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-13-methyl-5,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
MOLECULAR FORMULA: C30H44O10
MOLECULAR WEIGHT: 564.66436
SMILES: C[C@H]1C([C@H]([C@@H](C(O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)OC)O
Structure:
CAS RN: 65665-46-5
CAS Name: 2-(2-hydroxyethylthio)ethanol; pentanedioic acid dimethyl ester
OPENEYE Name: dimethyl pentanedioate; 2-(2-hydroxyethylsulfanyl)ethanol
IUPAC Name: dimethyl pentanedioate; 2-(2-hydroxyethylsulfanyl)ethanol
SYSTEMATIC NAME: dimethyl pentanedioate; 2-(2-hydroxyethylsulfanyl)ethanol
MOLECULAR FORMULA: C11H22O6S
MOLECULAR WEIGHT: 282.35378
SMILES: COC(=O)CCCC(=O)OC.C(CSCCO)O
Structure:
CAS RN: 65652-44-0
CAS Name: acetic acid; 6-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)-3-pyridinol
OPENEYE Name: acetic acid; 6-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-(hydroxymethyl)pyridin-3-ol
IUPAC Name: acetic acid; 6-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)pyridin-3-ol
SYSTEMATIC NAME: 6-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-(hydroxymethyl)pyridin-3-ol; ethanoic acid
MOLECULAR FORMULA: C14H24N2O5
MOLECULAR WEIGHT: 300.35076
SMILES: CC(=O)O.CC(C)(C)NCC(C1=NC(=C(C=C1)O)CO)O
Structure:
CAS RN: 65647-03-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C51H73N13O11S2
MOLECULAR WEIGHT: 1108.33582
SMILES: C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC34C=CC5(C(=C3S4)S5)O)NC(=O)CC6CCCCC6
Structure:
CAS RN: 65636-35-3
CAS Name: diethyl-methyl-[2-(2-methyl-1-oxoprop-2-enoxy)ethyl]ammonium; N-(hydroxymethyl)-2-propenamide; 2-methyl-2-propenoic acid 2-ethylhexyl ester; 2-methyl-2-propenoic acid 2-hydroxyethyl ester; 2-methyl-2-propenoic acid 3,3,3-trifluoropropyl ester; methyl sulf
OPENEYE Name: diethyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium; 2-ethylhexyl 2-methylprop-2-enoate; 2-hydroxyethyl 2-methylprop-2-enoate; N-(hydroxymethyl)prop-2-enamide; methyl sulfate; 3,3,3-trifluoropropyl 2-methylprop-2-enoate
IUPAC Name: diethyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium; 2-ethylhexyl 2-methylprop-2-enoate; 2-hydroxyethyl 2-methylprop-2-enoate; N-(hydroxymethyl)prop-2-enamide; methyl sulfate; 3,3,3-trifluoropropyl 2-methylprop-2-enoate
SYSTEMATIC NAME: diethyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium; 2-ethylhexyl 2-methylprop-2-enoate; 2-hydroxyethyl 2-methylprop-2-enoate; N-(hydroxymethyl)prop-2-enamide; methyl sulfate; 3,3,3-tris(fluoranyl)propyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C41H73F3N2O15S
MOLECULAR WEIGHT: 923.08293
SMILES: CCCCC(CC)COC(=O)C(=C)C.CC[N+](C)(CC)CCOC(=O)C(=C)C.CC(=C)C(=O)OCCC(F)(F)F.CC(=C)C(=O)OCCO.COS(=O)(=O)[O-].C=CC(=O)NCO
Structure:
CAS RN: 65623-01-0
CAS Name: N-(butoxymethyl)-2-propenamide; 2-methyl-2-propenenitrile; 2-methyl-2-propenoic acid; 2-methyl-2-propenoic acid methyl ester; 2-propenoic acid ethyl ester
OPENEYE Name: N-(butoxymethyl)prop-2-enamide; ethyl prop-2-enoate; methyl 2-methylprop-2-enoate; 2-methylprop-2-enenitrile; 2-methylprop-2-enoic acid
IUPAC Name: N-(butoxymethyl)prop-2-enamide; ethyl prop-2-enoate; methyl 2-methylprop-2-enoate; 2-methylprop-2-enenitrile; 2-methylprop-2-enoic acid
SYSTEMATIC NAME: N-(butoxymethyl)prop-2-enamide; ethyl prop-2-enoate; methyl 2-methylprop-2-enoate; 2-methylprop-2-enenitrile; 2-methylprop-2-enoic acid
MOLECULAR FORMULA: C26H42N2O8
MOLECULAR WEIGHT: 510.62028
SMILES: CCCCOCNC(=O)C=C.CCOC(=O)C=C.CC(=C)C#N.CC(=C)C(=O)O.CC(=C)C(=O)OC
Structure:
CAS RN: 65622-99-3
CAS Name: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; 1,3-dioxo-5-isobenzofurancarboxylic acid; hexanedioic acid; isobenzofuran-1,3-dione
OPENEYE Name: adipic acid; 2,2-dimethylpropane-1,3-diol; 1,3-dioxoisobenzofuran-5-carboxylic acid; isobenzofuran-1,3-dione; isophthalic acid
IUPAC Name: benzene-1,3-dicarboxylic acid; 2-benzofuran-1,3-dione; 2,2-dimethylpropane-1,3-diol; 1,3-dioxo-2-benzofuran-5-carboxylic acid; hexanedioic acid
SYSTEMATIC NAME: benzene-1,3-dicarboxylic acid; 2-benzofuran-1,3-dione; 1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid; 2,2-dimethylpropane-1,3-diol; hexanedioic acid
MOLECULAR FORMULA: C36H36O18
MOLECULAR WEIGHT: 756.66024
SMILES: CC(C)(CO)CO.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O.C(CCC(=O)O)CC(=O)O
Structure:
CAS RN: 65622-95-9
CAS Name: N-(butoxymethyl)-2-propenamide; 2-methyl-2-propenoic acid; 2-propenenitrile; 2-propenoic acid butyl ester; styrene
OPENEYE Name: N-(butoxymethyl)prop-2-enamide; butyl prop-2-enoate; 2-methylprop-2-enoic acid; prop-2-enenitrile; styrene
IUPAC Name: N-(butoxymethyl)prop-2-enamide; butyl prop-2-enoate; 2-methylprop-2-enoic acid; prop-2-enenitrile; styrene
SYSTEMATIC NAME: N-(butoxymethyl)prop-2-enamide; butyl prop-2-enoate; ethenylbenzene; 2-methylprop-2-enoic acid; prop-2-enenitrile
MOLECULAR FORMULA: C30H44N2O6
MOLECULAR WEIGHT: 528.68016
SMILES: CCCCOCNC(=O)C=C.CCCCOC(=O)C=C.CC(=C)C(=O)O.C=CC#N.C=CC1=CC=CC=C1
Structure:
CAS RN: 103018-76-4
CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; furan-2,5-dione; isobenzofuran-1,3-dione; propane-1,2-diol
OPENEYE Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; furan-2,5-dione; isobenzofuran-1,3-dione; propane-1,2-diol
IUPAC Name: 2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; furan-2,5-dione; propane-1,2-diol
SYSTEMATIC NAME: 2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; furan-2,5-dione; propane-1,2-diol
MOLECULAR FORMULA: C21H28O11
MOLECULAR WEIGHT: 456.44042
SMILES: CCC(CO)(CO)CO.CC(CO)O.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=O)OC1=O
Structure:
CAS RN: 65605-82-5
CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; furan-2,5-dione; isobenzofuran-1,3-dione; propane-1,2-diol
OPENEYE Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; furan-2,5-dione; isobenzofuran-1,3-dione; propane-1,2-diol
IUPAC Name: 2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; furan-2,5-dione; propane-1,2-diol
SYSTEMATIC NAME: 2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; furan-2,5-dione; propane-1,2-diol
MOLECULAR FORMULA: C21H28O11
MOLECULAR WEIGHT: 456.44042
SMILES: CCC(CO)(CO)CO.CC(CO)O.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=O)OC1=O
Structure:
CAS RN: 65605-58-5
CAS Name: 2-methyl-2-propenoic acid dodecyl ester; 2-methyl-2-propenoic acid 3,3,3-trifluoropropyl ester
OPENEYE Name: dodecyl 2-methylprop-2-enoate; 3,3,3-trifluoropropyl 2-methylprop-2-enoate
IUPAC Name: dodecyl 2-methylprop-2-enoate; 3,3,3-trifluoropropyl 2-methylprop-2-enoate
SYSTEMATIC NAME: dodecyl 2-methylprop-2-enoate; 3,3,3-tris(fluoranyl)propyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C23H39F3O4
MOLECULAR WEIGHT: 436.54857
SMILES: CCCCCCCCCCCCOC(=O)C(=C)C.CC(=C)C(=O)OCCC(F)(F)F
Structure:
CAS RN: 65605-56-3
CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3,3,3-trifluoro-1-propanol
OPENEYE Name: citric acid; 3,3,3-trifluoropropan-1-ol
IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3,3,3-trifluoropropan-1-ol
SYSTEMATIC NAME: 2-oxidanylpropane-1,2,3-tricarboxylic acid; 3,3,3-tris(fluoranyl)propan-1-ol
MOLECULAR FORMULA: C9H13F3O8
MOLECULAR WEIGHT: 306.18993
SMILES: C(CO)C(F)(F)F.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Structure:
CAS RN: 65588-77-4
CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; furan-2,5-dione; 2-(2-hydroxyethoxy)ethanol; isobenzofuran-1,3-dione; propane-1,2-diol
OPENEYE Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; furan-2,5-dione; 2-(2-hydroxyethoxy)ethanol; isobenzofuran-1,3-dione; propane-1,2-diol
IUPAC Name: 2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; furan-2,5-dione; 2-(2-hydroxyethoxy)ethanol; propane-1,2-diol
SYSTEMATIC NAME: 2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; furan-2,5-dione; 2-(2-hydroxyethyloxy)ethanol; propane-1,2-diol
MOLECULAR FORMULA: C25H38O14
MOLECULAR WEIGHT: 562.56082
SMILES: CCC(CO)(CO)CO.CC(CO)O.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=O)OC1=O.C(COCCO)O
Structure:
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