CAS RN: 102207-17-0
CAS Name: ethanol; 4-methoxy-N-[2-(1-methyl-1-piperidin-1-iumyl)ethyl]-N-(phenylmethyl)aniline; iodide
OPENEYE Name: N-benzyl-4-methoxy-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]aniline; ethanol; iodide
IUPAC Name: N-benzyl-4-methoxy-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]aniline; ethanol; iodide
SYSTEMATIC NAME: ethanol; 4-methoxy-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-N-(phenylmethyl)aniline; iodide
MOLECULAR FORMULA: C24H37IN2O2
MOLECULAR WEIGHT: 512.46725
SMILES: CCO.C[N+]1(CCCCC1)CCN(CC2=CC=CC=C2)C3=CC=C(C=C3)OC.[I-]
Structure:
CAS RN: 102206-87-1
CAS Name: N-(1-pyridin-1-iumylmethyl)-10-undecenamide chloride hydrate
OPENEYE Name: N-(pyridin-1-ium-1-ylmethyl)undec-10-enamide chloride hydrate
IUPAC Name: N-(pyridin-1-ium-1-ylmethyl)undec-10-enamide chloride hydrate
SYSTEMATIC NAME: N-(pyridin-1-ium-1-ylmethyl)undec-10-enamide chloride hydrate
MOLECULAR FORMULA: C17H29ClN2O2
MOLECULAR WEIGHT: 328.87736
SMILES: C=CCCCCCCCCC(=O)NC[N+]1=CC=CC=C1.O.[Cl-]
Structure:
CAS RN: 102169-59-5
CAS Name: 7-methyl-2-(methylthio)-6-purinamine
OPENEYE Name: 7-methyl-2-methylsulfanyl-purin-6-amine
IUPAC Name: 7-methyl-2-methylsulfanylpurin-6-amine
SYSTEMATIC NAME: 7-methyl-2-methylsulfanyl-purin-6-amine
MOLECULAR FORMULA: C7H9N5S
MOLECULAR WEIGHT: 195.24486
SMILES: CN1C=NC2=C1C(=NC(=N2)SC)N
Structure:
CAS RN: 100402-39-9
CAS Name: aluminum zirconium bromide
OPENEYE Name: aluminum zirconium bromide
IUPAC Name: aluminum zirconium bromide
SYSTEMATIC NAME: aluminum zirconium bromide
MOLECULAR FORMULA: AlBrZr+2
MOLECULAR WEIGHT: 198.109538
SMILES: [Al+3].[Br-].[Zr]
Structure:
CAS RN: 98616-54-7
CAS Name: 2,5-diamino-2-(2-amino-1-oxoethyl)-3-[4-amino-1-oxo-1-(5-oxo-2-pyrrolidinyl)butan-2-yl]-6-(1H-imidazol-5-yl)-4-oxo-3-[oxo(2-pyrrolidinyl)methyl]hexanoic acid
OPENEYE Name: 2,5-diamino-2-(2-aminoacetyl)-3-[3-amino-1-(5-oxopyrrolidine-2-carbonyl)propyl]-6-(1H-imidazol-5-yl)-4-oxo-3-(pyrrolidine-2-carbonyl)hexanoic acid
IUPAC Name: 2,5-diamino-2-(2-aminoacetyl)-3-[4-amino-1-oxo-1-(5-oxopyrrolidin-2-yl)butan-2-yl]-6-(1H-imidazol-5-yl)-4-oxo-3-(pyrrolidine-2-carbonyl)hexanoic acid
SYSTEMATIC NAME: 2,5-bis(azanyl)-2-(2-azanylethanoyl)-3-[4-azanyl-1-oxidanylidene-1-(5-oxidanylidenepyrrolidin-2-yl)butan-2-yl]-6-(1H-imidazol-5-yl)-4-oxidanylidene-3-pyrrolidin-2-ylcarbonyl-hexanoic acid
MOLECULAR FORMULA: C24H36N8O7
MOLECULAR WEIGHT: 548.59204
SMILES: C1CC(NC1)C(=O)C(C(CCN)C(=O)C2CCC(=O)N2)(C(=O)C(CC3=CN=CN3)N)C(C(=O)CN)(C(=O)O)N
Structure:
CAS RN: 98510-78-2
CAS Name: (E)-3-[2-hydroxy-3-(2-methylpropoxy)phenyl]-2-propenoic acid
OPENEYE Name: (E)-3-(2-hydroxy-3-isobutoxy-phenyl)prop-2-enoic acid
IUPAC Name: (E)-3-[2-hydroxy-3-(2-methylpropoxy)phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[3-(2-methylpropoxy)-2-oxidanyl-phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C13H16O4
MOLECULAR WEIGHT: 236.26374
SMILES: CC(C)COC1=CC=CC(=C1O)/C=C/C(=O)O
Structure:
CAS RN: 98447-35-9
CAS Name: N-(6-chloro-2,1-benzothiazol-3-yl)-2-methylpropanamide
OPENEYE Name: N-(6-chloro-2,1-benzothiazol-3-yl)-2-methyl-propanamide
IUPAC Name: N-(6-chloro-2,1-benzothiazol-3-yl)-2-methylpropanamide
SYSTEMATIC NAME: N-(6-chloranyl-2,1-benzothiazol-3-yl)-2-methyl-propanamide
MOLECULAR FORMULA: C11H11ClN2OS
MOLECULAR WEIGHT: 254.73584
SMILES: CC(C)C(=O)NC1=C2C=CC(=CC2=NS1)Cl
Structure:
CAS RN: 98447-34-8
CAS Name: N-(6-chloro-2,1-benzothiazol-3-yl)butanamide
OPENEYE Name: N-(6-chloro-2,1-benzothiazol-3-yl)butanamide
IUPAC Name: N-(6-chloro-2,1-benzothiazol-3-yl)butanamide
SYSTEMATIC NAME: N-(6-chloranyl-2,1-benzothiazol-3-yl)butanamide
MOLECULAR FORMULA: C11H11ClN2OS
MOLECULAR WEIGHT: 254.73584
SMILES: CCCC(=O)NC1=C2C=CC(=CC2=NS1)Cl
Structure:
CAS RN: 98447-32-6
CAS Name: 2-chloro-N-(6-chloro-2,1-benzothiazol-3-yl)acetamide
OPENEYE Name: 2-chloro-N-(6-chloro-2,1-benzothiazol-3-yl)acetamide
IUPAC Name: 2-chloro-N-(6-chloro-2,1-benzothiazol-3-yl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-(6-chloranyl-2,1-benzothiazol-3-yl)ethanamide
MOLECULAR FORMULA: C9H6Cl2N2OS
MOLECULAR WEIGHT: 261.12774
SMILES: C1=CC2=C(SN=C2C=C1Cl)NC(=O)CCl
Structure:
CAS RN: 98106-55-9
CAS Name: octaaluminum zirconium octachloride eicosahydroxide
OPENEYE Name: octaaluminum zirconium octachloride icosahydroxide
IUPAC Name: octaaluminum zirconium octachloride icosahydroxide
SYSTEMATIC NAME: octaaluminum zirconium octachloride icosahydroxide
MOLECULAR FORMULA: Al8Cl8H20O20Zr-4
MOLECULAR WEIGHT: 930.847104
SMILES: [OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Zr]
Structure:
CAS RN: 98106-54-8
CAS Name: octaaluminum zirconium pentachloride tricosahydroxide
OPENEYE Name: octaaluminum zirconium pentachloride tricosahydroxide
IUPAC Name: octaaluminum zirconium pentachloride tricosahydroxide
SYSTEMATIC NAME: octaaluminum zirconium pentachloride tricosahydroxide
MOLECULAR FORMULA: Al8Cl5H23O23Zr-4
MOLECULAR WEIGHT: 875.510124
SMILES: [OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Zr]
Structure:
CAS RN: 98106-53-7
CAS Name: tetraaluminum zirconium trichloride tridecahydroxide
OPENEYE Name: tetraaluminum zirconium trichloride tridecahydroxide
IUPAC Name: tetraaluminum zirconium trichloride tridecahydroxide
SYSTEMATIC NAME: tetraaluminum zirconium trichloride tridecahydroxide
MOLECULAR FORMULA: Al4Cl3H13O13Zr-4
MOLECULAR WEIGHT: 526.604572
SMILES: [OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[Cl-].[Cl-].[Cl-].[Zr]
Structure:
CAS RN: 98106-52-6
CAS Name: tetraaluminum zirconium tetrachloride dodecahydroxide
OPENEYE Name: tetraaluminum zirconium tetrachloride dodecahydroxide
IUPAC Name: tetraaluminum zirconium tetrachloride dodecahydroxide
SYSTEMATIC NAME: tetraaluminum zirconium tetrachloride dodecahydroxide
MOLECULAR FORMULA: Al4Cl4H12O12Zr-4
MOLECULAR WEIGHT: 545.050232
SMILES: [OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[Cl-].[Cl-].[Cl-].[Cl-].[Zr]
Structure:
CAS RN: 97605-97-5
CAS Name: (Z)-9-octadecenoic acid [3-(2,3-dihydroxypropoxy)-2-hydroxypropyl] ester
OPENEYE Name: [3-(2,3-dihydroxypropoxy)-2-hydroxy-propyl] (Z)-octadec-9-enoate
IUPAC Name: [3-(2,3-dihydroxypropoxy)-2-hydroxypropyl] (Z)-octadec-9-enoate
SYSTEMATIC NAME: [3-[2,3-bis(oxidanyl)propoxy]-2-oxidanyl-propyl] (Z)-octadec-9-enoate
MOLECULAR FORMULA: C24H46O6
MOLECULAR WEIGHT: 430.61844
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COCC(CO)O)O
Structure:
CAS RN: 97552-70-0
CAS Name: propanoic acid [1-methyl-4-(1-methylethenyl)cyclohexyl] ester
OPENEYE Name: (4-isopropenyl-1-methyl-cyclohexyl) propanoate
IUPAC Name: (1-methyl-4-prop-1-en-2-ylcyclohexyl) propanoate
SYSTEMATIC NAME: (1-methyl-4-prop-1-en-2-yl-cyclohexyl) propanoate
MOLECULAR FORMULA: C13H22O2
MOLECULAR WEIGHT: 210.31258
SMILES: CCC(=O)OC1(CCC(CC1)C(=C)C)C
Structure:
CAS RN: 97552-68-6
CAS Name: dodecanoic acid (2-heptan-3-yl-1,3-dioxan-5-yl) ester
OPENEYE Name: [2-(1-ethylpentyl)-1,3-dioxan-5-yl] dodecanoate
IUPAC Name: (2-heptan-3-yl-1,3-dioxan-5-yl) dodecanoate
SYSTEMATIC NAME: (2-heptan-3-yl-1,3-dioxan-5-yl) dodecanoate
MOLECULAR FORMULA: C23H44O4
MOLECULAR WEIGHT: 384.59306
SMILES: CCCCCCCCCCCC(=O)OC1COC(OC1)C(CC)CCCC
Structure:
CAS RN: 97552-57-3
CAS Name: butanoic acid (3-butoxy-3-oxopropyl) ester
OPENEYE Name: (3-butoxy-3-oxo-propyl) butanoate
IUPAC Name: (3-butoxy-3-oxopropyl) butanoate
SYSTEMATIC NAME: (3-butoxy-3-oxidanylidene-propyl) butanoate
MOLECULAR FORMULA: C11H20O4
MOLECULAR WEIGHT: 216.2741
SMILES: CCCCOC(=O)CCOC(=O)CCC
Structure:
CAS RN: 97403-89-9
CAS Name: N,4-dimethyl-N-[(E)-(1,3,3-trimethyl-2-indol-1-iumyl)methylideneamino]aniline hydroxide
OPENEYE Name: N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]aniline hydroxide
IUPAC Name: N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline hydroxide
SYSTEMATIC NAME: N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline hydroxide
MOLECULAR FORMULA: C20H25N3O
MOLECULAR WEIGHT: 323.432
SMILES: CC1=CC=C(C=C1)N(C)/N=C/C2=[N+](C3=CC=CC=C3C2(C)C)C.[OH-]
Structure:
CAS RN: 97338-16-4
CAS Name: [4-[(2-chlorophenyl)-[4-(dimethylamino)phenyl]methylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium; hydrogen sulfate
OPENEYE Name: [4-[(2-chlorophenyl)-[4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium; hydrogen sulfate
IUPAC Name: [4-[(2-chlorophenyl)-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium; hydrogen sulfate
SYSTEMATIC NAME: [4-[(2-chlorophenyl)-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium; hydrogen sulfate
MOLECULAR FORMULA: C23H25ClN2O4S
MOLECULAR WEIGHT: 460.9736
SMILES: CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3Cl.OS(=O)(=O)[O-]
Structure:
CAS RN: 97181-07-2
CAS Name: (2Z)-2-bromo-2-(3-oxo-5-phenyl-2-furanylidene)acetic acid methyl ester
OPENEYE Name: methyl (2Z)-2-bromo-2-(3-oxo-5-phenyl-2-furylidene)acetate
IUPAC Name: methyl (2Z)-2-bromo-2-(3-oxo-5-phenylfuran-2-ylidene)acetate
SYSTEMATIC NAME: methyl (2Z)-2-bromanyl-2-(3-oxidanylidene-5-phenyl-furan-2-ylidene)ethanoate
MOLECULAR FORMULA: C13H9BrO4
MOLECULAR WEIGHT: 309.11216
SMILES: COC(=O)/C(=C/1\C(=O)C=C(O1)C2=CC=CC=C2)/Br
Structure:
CAS RN: 97171-81-8
CAS Name: 2-methyl-2-propenoic acid (1-ethyl-3-piperidinyl) ester
OPENEYE Name: (1-ethyl-3-piperidyl) 2-methylprop-2-enoate
IUPAC Name: (1-ethylpiperidin-3-yl) 2-methylprop-2-enoate
SYSTEMATIC NAME: (1-ethylpiperidin-3-yl) 2-methylprop-2-enoate
MOLECULAR FORMULA: C11H19NO2
MOLECULAR WEIGHT: 197.27406
SMILES: CCN1CCCC(C1)OC(=O)C(=C)C
Structure:
CAS RN: 97171-80-7
CAS Name: 2-methyl-2-propenoic acid [1-(phenylmethyl)-3-piperidinyl] ester
OPENEYE Name: (1-benzyl-3-piperidyl) 2-methylprop-2-enoate
IUPAC Name: (1-benzylpiperidin-3-yl) 2-methylprop-2-enoate
SYSTEMATIC NAME: [1-(phenylmethyl)piperidin-3-yl] 2-methylprop-2-enoate
MOLECULAR FORMULA: C16H21NO2
MOLECULAR WEIGHT: 259.34344
SMILES: CC(=C)C(=O)OC1CCCN(C1)CC2=CC=CC=C2
Structure:
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