CAS RN: 51015-29-3
CAS Name: 6-methyl-3,4-dihydro-2H-naphthalen-1-one
OPENEYE Name: 6-methyltetralin-1-one
IUPAC Name: 6-methyl-3,4-dihydro-2H-naphthalen-1-one
SYSTEMATIC NAME: 6-methyl-3,4-dihydro-2H-naphthalen-1-one
MOLECULAR FORMULA: C11H12O
MOLECULAR WEIGHT: 160.21238
SMILES: CC1=CC2=C(C=C1)C(=O)CCC2
Structure:
CAS RN: 39475-83-7
CAS Name: formaldehyde; 2-hydroxybenzenesulfonic acid
OPENEYE Name: formaldehyde; 2-hydroxybenzenesulfonic acid
IUPAC Name: formaldehyde; 2-hydroxybenzenesulfonic acid
SYSTEMATIC NAME: methanal; 2-oxidanylbenzenesulfonic acid
MOLECULAR FORMULA: C7H8O5S
MOLECULAR WEIGHT: 204.20042
SMILES: C=O.C1=CC=C(C(=C1)O)S(=O)(=O)O
Structure:
CAS RN: 50973-35-8
CAS Name: formaldehyde; 2-hydroxybenzenesulfonic acid
OPENEYE Name: formaldehyde; 2-hydroxybenzenesulfonic acid
IUPAC Name: formaldehyde; 2-hydroxybenzenesulfonic acid
SYSTEMATIC NAME: methanal; 2-oxidanylbenzenesulfonic acid
MOLECULAR FORMULA: C7H8O5S
MOLECULAR WEIGHT: 204.20042
SMILES: C=O.C1=CC=C(C(=C1)O)S(=O)(=O)O
Structure:
CAS RN: 61792-58-3
CAS Name: formaldehyde; 2-hydroxybenzenesulfonic acid
OPENEYE Name: formaldehyde; 2-hydroxybenzenesulfonic acid
IUPAC Name: formaldehyde; 2-hydroxybenzenesulfonic acid
SYSTEMATIC NAME: methanal; 2-oxidanylbenzenesulfonic acid
MOLECULAR FORMULA: C7H8O5S
MOLECULAR WEIGHT: 204.20042
SMILES: C=O.C1=CC=C(C(=C1)O)S(=O)(=O)O
Structure:
CAS RN: 50930-41-1
CAS Name: 3-aminobenzoic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 3-aminobenzoate hydrochloride
IUPAC Name: ethyl 3-aminobenzoate hydrochloride
SYSTEMATIC NAME: ethyl 3-azanylbenzoate hydrochloride
MOLECULAR FORMULA: C9H12ClNO2
MOLECULAR WEIGHT: 201.65008
SMILES: CCOC(=O)C1=CC(=CC=C1)N.Cl
Structure:
CAS RN: 50863-62-2
CAS Name: N,N'-bis(cyclohexylthio)-N,N'-diphenyloxamide
OPENEYE Name: N,N'-bis(cyclohexylsulfanyl)-N,N'-diphenyl-oxamide
IUPAC Name: N,N'-bis(cyclohexylsulfanyl)-N,N'-diphenyloxamide
SYSTEMATIC NAME: N,N'-bis(cyclohexylsulfanyl)-N,N'-diphenyl-ethanediamide
MOLECULAR FORMULA: C26H32N2O2S2
MOLECULAR WEIGHT: 468.67448
SMILES: C1CCC(CC1)SN(C2=CC=CC=C2)C(=O)C(=O)N(C3=CC=CC=C3)SC4CCCCC4
Structure:
CAS RN: 50816-66-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H28O7
MOLECULAR WEIGHT: 416.46422
SMILES: CC1=CC2C(C(CC3(C(O3)CC1OC(=O)C(=C)C)C)OC(=O)C(=C)C)C(=C)C(=O)O2
Structure:
CAS RN: 50729-75-4
CAS Name: 6-[2-(2-undecyl-1-imidazolyl)ethyl]-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6-[2-(2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
IUPAC Name: 6-[2-(2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-[2-(2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C19H33N7
MOLECULAR WEIGHT: 359.51222
SMILES: CCCCCCCCCCCC1=NC=CN1CCC2=NC(=NC(=N2)N)N
Structure:
CAS RN: 5453-30-5
CAS Name: 3,4,5-trihydroxybenzoic acid [(2R,3R,4S,5R)-3,4,5,6-tetrakis[oxo-(3,4,5-trihydroxyphenyl)methoxy]-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3R,4S,5R)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate
IUPAC Name: [(2R,3R,4S,5R)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
SYSTEMATIC NAME: [(2R,3R,4S,5R)-3,4,5,6-tetrakis[[3,4,5-tris(oxidanyl)phenyl]carbonyloxy]oxan-2-yl]methyl 3,4,5-tris(oxidanyl)benzoate
MOLECULAR FORMULA: C41H32O26
MOLECULAR WEIGHT: 940.67718
SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O
Structure:
CAS RN: 54533-09-4
CAS Name: 3,4,5-trihydroxybenzoic acid [(2R,3R,4S,5R)-3,4,5,6-tetrakis[oxo-(3,4,5-trihydroxyphenyl)methoxy]-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3R,4S,5R)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate
IUPAC Name: [(2R,3R,4S,5R)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
SYSTEMATIC NAME: [(2R,3R,4S,5R)-3,4,5,6-tetrakis[[3,4,5-tris(oxidanyl)phenyl]carbonyloxy]oxan-2-yl]methyl 3,4,5-tris(oxidanyl)benzoate
MOLECULAR FORMULA: C41H32O26
MOLECULAR WEIGHT: 940.67718
SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O
Structure:
CAS RN: 50673-96-6
CAS Name: 4-(2-aminoethyl)cyclohexa-3,5-diene-1,2-dione
OPENEYE Name: 4-(2-aminoethyl)-1,2-benzoquinone
IUPAC Name: 4-(2-aminoethyl)cyclohexa-3,5-diene-1,2-dione
SYSTEMATIC NAME: 4-(2-azanylethyl)cyclohexa-3,5-diene-1,2-dione
MOLECULAR FORMULA: C8H9NO2
MOLECULAR WEIGHT: 151.16256
SMILES: C1=CC(=O)C(=O)C=C1CCN
Structure:
CAS RN: 5453-25-8
CAS Name: 2-hydroxyethyl-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-piperidinyl)-dimethylammonium
OPENEYE Name: 2-hydroxyethyl-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-piperidyl)-dimethyl-ammonium
IUPAC Name: 2-hydroxyethyl-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethylpiperidin-4-yl)-dimethylazanium
SYSTEMATIC NAME: 2-hydroxyethyl-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-piperidin-4-yl)-dimethyl-azanium
MOLECULAR FORMULA: C13H28N2O2+
MOLECULAR WEIGHT: 244.37362
SMILES: CC1(CC(CC(N1[O])(C)C)[N+](C)(C)CCO)C
Structure:
CAS RN: 5453-26-9
CAS Name: 2-hydroxyethyl-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-piperidinyl)-dimethylammonium
OPENEYE Name: 2-hydroxyethyl-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-piperidyl)-dimethyl-ammonium
IUPAC Name: 2-hydroxyethyl-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethylpiperidin-4-yl)-dimethylazanium
SYSTEMATIC NAME: 2-hydroxyethyl-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-piperidin-4-yl)-dimethyl-azanium
MOLECULAR FORMULA: C13H28N2O2+
MOLECULAR WEIGHT: 244.37362
SMILES: CC1(CC(CC(N1[O])(C)C)[N+](C)(C)CCO)C
Structure:
CAS RN: 5453-17-8
CAS Name: 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole; 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid (2-methyl-4-oxo-3-prop-2-enyl-1-cyclopent-2-enyl) ester; (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-[5-(phenylmethyl)-3-fu
OPENEYE Name: (3-allyl-2-methyl-4-oxo-cyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate; 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole; methyl (1R,3R)-1-(5-benzyl-3-furyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecar
IUPAC Name: 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole; methyl (1R,3R)-1-(5-benzylfuran-3-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate; (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclo
SYSTEMATIC NAME: 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole; methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-[5-(phenylmethyl)furan-3-yl]cyclopropane-1-carboxylate; (2-methyl-4-oxidanylidene-3-prop-2-enyl-cyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-meth
MOLECULAR FORMULA: C60H82O11
MOLECULAR WEIGHT: 979.28648
SMILES: CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2.CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C.CC(=C[C@H]1[C@@](C1(C)C)(C2=COC(=C2)CC3=CC=CC=C3)C(=O)OC)C
Structure:
CAS RN: 5453-18-9
CAS Name: 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole; 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid (2-methyl-4-oxo-3-prop-2-enyl-1-cyclopent-2-enyl) ester; (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-[5-(phenylmethyl)-3-fu
OPENEYE Name: (3-allyl-2-methyl-4-oxo-cyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate; 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole; methyl (1R,3R)-1-(5-benzyl-3-furyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecar
IUPAC Name: 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole; methyl (1R,3R)-1-(5-benzylfuran-3-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate; (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclo
SYSTEMATIC NAME: 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole; methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-[5-(phenylmethyl)furan-3-yl]cyclopropane-1-carboxylate; (2-methyl-4-oxidanylidene-3-prop-2-enyl-cyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-meth
MOLECULAR FORMULA: C60H82O11
MOLECULAR WEIGHT: 979.28648
SMILES: CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2.CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C.CC(=C[C@H]1[C@@](C1(C)C)(C2=COC(=C2)CC3=CC=CC=C3)C(=O)OC)C
Structure:
CAS RN: 5453-00-9
CAS Name: 2-(3-methylbut-2-enoxy)ethylbenzene
OPENEYE Name: 2-(3-methylbut-2-enoxy)ethylbenzene
IUPAC Name: 2-(3-methylbut-2-enoxy)ethylbenzene
SYSTEMATIC NAME: 2-(3-methylbut-2-enoxy)ethylbenzene
MOLECULAR FORMULA: C13H18O
MOLECULAR WEIGHT: 190.28142
SMILES: CC(=CCOCCC1=CC=CC=C1)C
Structure:
CAS RN: 54530-86-8
CAS Name: 2-(3-methylbut-2-enoxy)ethylbenzene
OPENEYE Name: 2-(3-methylbut-2-enoxy)ethylbenzene
IUPAC Name: 2-(3-methylbut-2-enoxy)ethylbenzene
SYSTEMATIC NAME: 2-(3-methylbut-2-enoxy)ethylbenzene
MOLECULAR FORMULA: C13H18O
MOLECULAR WEIGHT: 190.28142
SMILES: CC(=CCOCCC1=CC=CC=C1)C
Structure:
CAS RN: 5452-84-6
CAS Name: 3-(6-amino-2-oxo-1-pyrimidinyl)propanoic acid
OPENEYE Name: 3-(6-amino-2-oxo-pyrimidin-1-yl)propanoic acid
IUPAC Name: 3-(6-amino-2-oxopyrimidin-1-yl)propanoic acid
SYSTEMATIC NAME: 3-(6-azanyl-2-oxidanylidene-pyrimidin-1-yl)propanoic acid
MOLECULAR FORMULA: C7H9N3O3
MOLECULAR WEIGHT: 183.16466
SMILES: C1=C(N(C(=O)N=C1)CCC(=O)O)N
Structure:
CAS RN: 5452-85-7
CAS Name: 3-(6-amino-2-oxo-1-pyrimidinyl)propanoic acid
OPENEYE Name: 3-(6-amino-2-oxo-pyrimidin-1-yl)propanoic acid
IUPAC Name: 3-(6-amino-2-oxopyrimidin-1-yl)propanoic acid
SYSTEMATIC NAME: 3-(6-azanyl-2-oxidanylidene-pyrimidin-1-yl)propanoic acid
MOLECULAR FORMULA: C7H9N3O3
MOLECULAR WEIGHT: 183.16466
SMILES: C1=C(N(C(=O)N=C1)CCC(=O)O)N
Structure:
CAS RN: 52179-09-6
CAS Name: acetic acid [(2S,3S,5S,10S,13S,16S,17R)-17-hydroxy-10,13-dimethyl-16-(1-methyl-1-piperidin-1-iumyl)-2-(1-piperidinyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester bromide
OPENEYE Name: [(2S,3S,5S,10S,13S,16S,17R)-17-hydroxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-(1-piperidyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate bromide
IUPAC Name: [(2S,3S,5S,10S,13S,16S,17R)-17-hydroxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate bromide
SYSTEMATIC NAME: [(2S,3S,5S,10S,13S,16S,17R)-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-17-oxidanyl-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate bromide
MOLECULAR FORMULA: C32H55BrN2O3
MOLECULAR WEIGHT: 595.6947
SMILES: CC(=O)O[C@H]1C[C@@H]2CCC3C([C@]2(C[C@@H]1N4CCCCC4)C)CC[C@]5(C3C[C@@H]([C@@H]5O)[N+]6(CCCCC6)C)C.[Br-]
Structure:
CAS RN: 5451-49-0
CAS Name: 2-(bromomethyl)-3-methylnaphthalene-1,4-dione
OPENEYE Name: 2-(bromomethyl)-3-methyl-naphthalene-1,4-dione
IUPAC Name: 2-(bromomethyl)-3-methylnaphthalene-1,4-dione
SYSTEMATIC NAME: 2-(bromomethyl)-3-methyl-naphthalene-1,4-dione
MOLECULAR FORMULA: C12H9BrO2
MOLECULAR WEIGHT: 265.10266
SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)CBr
Structure:
CAS RN: 129770-47-4
CAS Name: 3,3-bis(2-methyl-1-octyl-3-indolyl)-1-isobenzofuranone
OPENEYE Name: 3,3-bis(2-methyl-1-octyl-indol-3-yl)isobenzofuran-1-one
IUPAC Name: 3,3-bis(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one
SYSTEMATIC NAME: 3,3-bis(2-methyl-1-octyl-indol-3-yl)-2-benzofuran-1-one
MOLECULAR FORMULA: C42H52N2O2
MOLECULAR WEIGHT: 616.87448
SMILES: CCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCCCCCC)C)C
Structure:
CAS RN: 150422-11-0
CAS Name: 3,3-bis(2-methyl-1-octyl-3-indolyl)-1-isobenzofuranone
OPENEYE Name: 3,3-bis(2-methyl-1-octyl-indol-3-yl)isobenzofuran-1-one
IUPAC Name: 3,3-bis(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one
SYSTEMATIC NAME: 3,3-bis(2-methyl-1-octyl-indol-3-yl)-2-benzofuran-1-one
MOLECULAR FORMULA: C42H52N2O2
MOLECULAR WEIGHT: 616.87448
SMILES: CCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCCCCCC)C)C
Structure:
CAS RN: 220555-75-9
CAS Name: 3,3-bis(2-methyl-1-octyl-3-indolyl)-1-isobenzofuranone
OPENEYE Name: 3,3-bis(2-methyl-1-octyl-indol-3-yl)isobenzofuran-1-one
IUPAC Name: 3,3-bis(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one
SYSTEMATIC NAME: 3,3-bis(2-methyl-1-octyl-indol-3-yl)-2-benzofuran-1-one
MOLECULAR FORMULA: C42H52N2O2
MOLECULAR WEIGHT: 616.87448
SMILES: CCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCCCCCC)C)C
Structure:
CAS RN: 50292-95-0
CAS Name: 3,3-bis(2-methyl-1-octyl-3-indolyl)-1-isobenzofuranone
OPENEYE Name: 3,3-bis(2-methyl-1-octyl-indol-3-yl)isobenzofuran-1-one
IUPAC Name: 3,3-bis(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one
SYSTEMATIC NAME: 3,3-bis(2-methyl-1-octyl-indol-3-yl)-2-benzofuran-1-one
MOLECULAR FORMULA: C42H52N2O2
MOLECULAR WEIGHT: 616.87448
SMILES: CCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCCCCCC)C)C
Structure:
CAS RN: 126909-33-9
CAS Name: 3,3-bis(1-butyl-2-methyl-3-indolyl)-1-isobenzofuranone
OPENEYE Name: 3,3-bis(1-butyl-2-methyl-indol-3-yl)isobenzofuran-1-one
IUPAC Name: 3,3-bis(1-butyl-2-methylindol-3-yl)-2-benzofuran-1-one
SYSTEMATIC NAME: 3,3-bis(1-butyl-2-methyl-indol-3-yl)-2-benzofuran-1-one
MOLECULAR FORMULA: C34H36N2O2
MOLECULAR WEIGHT: 504.66184
SMILES: CCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCC)C)C
Structure:
No comments:
Post a Comment