CAS RN: 83898-59-3
CAS Name: (Z)-2-butenedioic acid O4-[bis[(Z)-4-dodecoxy-1,4-dioxobut-2-enoxy]-dodecylstannyl] ester O1-dodecyl ester
OPENEYE Name: O4-[bis[[(Z)-4-dodecoxy-4-oxo-but-2-enoyl]oxy]-dodecyl-stannyl] O1-dodecyl (Z)-but-2-enedioate
IUPAC Name: 4-O-[bis[[(Z)-4-dodecoxy-4-oxobut-2-enoyl]oxy]-dodecylstannyl] 1-O-dodecyl (Z)-but-2-enedioate
SYSTEMATIC NAME: O4-[bis[[(Z)-4-dodecoxy-4-oxidanylidene-but-2-enoyl]oxy]-dodecyl-stannyl] O1-dodecyl (Z)-but-2-enedioate
MOLECULAR FORMULA: C60H106O12Sn
MOLECULAR WEIGHT: 1138.18644
SMILES: CCCCCCCCCCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCCCCCCCCCC)(OC(=O)/C=C\C(=O)OCCCCCCCCCCCC)CCCCCCCCCCCC
CAS RN: 83721-48-6
CAS Name: N-chloro-N-[2,3,4,5-tetrachloro-6-(2,4-dichlorophenoxy)phenyl]methanesulfonamide; sodium
OPENEYE Name: N-chloro-N-[2,3,4,5-tetrachloro-6-(2,4-dichlorophenoxy)phenyl]methanesulfonamide; sodium
IUPAC Name: N-chloro-N-[2,3,4,5-tetrachloro-6-(2,4-dichlorophenoxy)phenyl]methanesulfonamide; sodium
SYSTEMATIC NAME: N-[2-[2,4-bis(chloranyl)phenoxy]-3,4,5,6-tetrakis(chloranyl)phenyl]-N-chloranyl-methanesulfonamide; sodium
MOLECULAR FORMULA: C13H6Cl7NNaO3S
MOLECULAR WEIGHT: 527.41741
SMILES: CS(=O)(=O)N(C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)OC2=C(C=C(C=C2)Cl)Cl)Cl.[Na]
CAS RN: 71173-69-8
CAS Name: (6Z)-4-amino-3-(4-nitrophenyl)azo-5-oxo-6-[(3-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid; N-octyl-1-octanamine
OPENEYE Name: (6Z)-4-amino-3-(4-nitrophenyl)azo-5-oxo-6-[(3-sulfophenyl)hydrazono]naphthalene-2,7-disulfonic acid; N-octyloctan-1-amine
IUPAC Name: (6Z)-4-amino-3-[(4-nitrophenyl)diazenyl]-5-oxo-6-[(3-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid; N-octyloctan-1-amine
SYSTEMATIC NAME: (6Z)-4-azanyl-3-[(4-nitrophenyl)diazenyl]-5-oxidanylidene-6-[(3-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid; N-octyloctan-1-amine
MOLECULAR FORMULA: C70H121N9O12S3
MOLECULAR WEIGHT: 1376.95784
SMILES: CCCCCCCCNCCCCCCCC.CCCCCCCCNCCCCCCCC.CCCCCCCCNCCCCCCCC.C1=CC(=CC(=C1)S(=O)(=O)O)N/N=C/2\C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O
CAS RN: 70248-53-2
CAS Name: tetrasodium; 3-[4-[[[4-[(4,8-disulfonato-2-naphthalenyl)azo]-3-methylanilino]-oxomethyl]amino]-2-methylphenyl]azonaphthalene-1,5-disulfonate; 2-(2-hydroxyethylamino)ethanol
OPENEYE Name: tetrasodium; 3-[4-[[4-[(4,8-disulfonato-2-naphthyl)azo]-3-methyl-phenyl]carbamoylamino]-2-methyl-phenyl]azonaphthalene-1,5-disulfonate; 2-(2-hydroxyethylamino)ethanol
IUPAC Name: tetrasodium; 3-[[4-[[4-[(4,8-disulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]carbamoylamino]-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonate; 2-(2-hydroxyethylamino)ethanol
SYSTEMATIC NAME: tetrasodium; 3-[[4-[[4-[(4,8-disulfonatonaphthalen-2-yl)diazenyl]-3-methyl-phenyl]carbamoylamino]-2-methyl-phenyl]diazenyl]naphthalene-1,5-disulfonate; 2-(2-hydroxyethylamino)ethanol
MOLECULAR FORMULA: C39H35N7Na4O15S4
MOLECULAR WEIGHT: 1061.95218
SMILES: CC1=C(C=CC(=C1)NC(=O)NC2=CC(=C(C=C2)N=NC3=CC(=C4C=CC=C(C4=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])C)N=NC5=CC(=C6C=CC=C(C6=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].C(CO)NCCO.[Na+].[Na+].[Na+].[Na+]
CAS RN: 94944-84-0
CAS Name: disodium (3E)-3-[(4-acetamidophenyl)hydrazinylidene]-7-[[(6Z)-6-[(4-acetamidophenyl)hydrazinylidene]-5-oxo-7-sulfonato-2-naphthalenyl]amino]-4-oxo-2-naphthalenesulfonate
OPENEYE Name: disodium (3E)-3-[(4-acetamidophenyl)hydrazono]-7-[[(6Z)-6-[(4-acetamidophenyl)hydrazono]-5-oxo-7-sulfonato-2-naphthyl]amino]-4-oxo-naphthalene-2-sulfonate
IUPAC Name: disodium (3E)-3-[(4-acetamidophenyl)hydrazinylidene]-7-[[(6Z)-6-[(4-acetamidophenyl)hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]amino]-4-oxonaphthalene-2-sulfonate
SYSTEMATIC NAME: disodium (3E)-3-[(4-acetamidophenyl)hydrazinylidene]-7-[[(6Z)-6-[(4-acetamidophenyl)hydrazinylidene]-5-oxidanylidene-7-sulfonato-naphthalen-2-yl]amino]-4-oxidanylidene-naphthalene-2-sulfonate
MOLECULAR FORMULA: C36H27N7Na2O10S2
MOLECULAR WEIGHT: 827.75002
SMILES: CC(=O)NC1=CC=C(C=C1)N/N=C/2\C(=CC3=C(C2=O)C=CC(=C3)NC4=CC5=C(C=C4)C(=O)/C(=N\NC6=CC=C(C=C6)NC(=O)C)/C(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
CAS RN: 94199-81-2
CAS Name: disodium [phosphonatomethyl(propan-2-yl)amino]methylphosphonic acid
OPENEYE Name: disodium [isopropyl(phosphonatomethyl)amino]methylphosphonic acid
IUPAC Name: disodium [phosphonatomethyl(propan-2-yl)amino]methylphosphonic acid
SYSTEMATIC NAME: disodium [phosphonatomethyl(propan-2-yl)amino]methylphosphonic acid
MOLECULAR FORMULA: C5H13NNa2O6P2
MOLECULAR WEIGHT: 291.086882
SMILES: CC(C)N(CP(=O)(O)O)CP(=O)([O-])[O-].[Na+].[Na+]
CAS RN: 121575-62-0
CAS Name: 2-[4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)azo]-N-ethylanilino]ethyl-trimethylammonium sulfate
OPENEYE Name: 2-[4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)azo]-N-ethyl-anilino]ethyl-trimethyl-ammonium sulfate
IUPAC Name: 2-[4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium sulfate
SYSTEMATIC NAME: 2-[[4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]phenyl]-ethyl-amino]ethyl-trimethyl-azanium sulfate
MOLECULAR FORMULA: C17H29N7O4S
MOLECULAR WEIGHT: 427.52166
SMILES: CCN(CC[N+](C)(C)C)C1=CC=C(C=C1)N=NC2=NN(C=[N+]2C)C.[O-]S(=O)(=O)[O-]
CAS RN: 157674-89-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C81H117N21O21
MOLECULAR WEIGHT: 1720.92378
SMILES: CC(C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)NCC(=O)N)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CCCCN)NC(=
CAS RN: 103443-55-6
CAS Name: 4-(4-aminophenoxy)aniline; 4-(4-aminophenyl)sulfonylaniline; 5-[2-(1,3-dioxo-5-isobenzofuranyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]isobenzofuran-1,3-dione
OPENEYE Name: 4-(4-aminophenoxy)aniline; 4-(4-aminophenyl)sulfonylaniline; 5-[1-(1,3-dioxoisobenzofuran-5-yl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]isobenzofuran-1,3-dione
IUPAC Name: 4-(4-aminophenoxy)aniline; 4-(4-aminophenyl)sulfonylaniline; 5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 4-(4-aminophenyl)sulfonylaniline; 4-(4-azanylphenoxy)aniline; 5-[2-[1,3-bis(oxidanylidene)-2-benzofuran-5-yl]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C43H30F6N4O9S
MOLECULAR WEIGHT: 892.775119
SMILES: C1=CC(=CC=C1N)OC2=CC=C(C=C2)N.C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N.C1=CC2=C(C=C1C(C3=CC4=C(C=C3)C(=O)OC4=O)(C(F)(F)F)C(F)(F)F)C(=O)OC2=O
CAS RN: 122392-24-9
CAS Name: 4-(4-aminophenoxy)aniline; 4-(4-aminophenyl)sulfonylaniline; 5-[2-(1,3-dioxo-5-isobenzofuranyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]isobenzofuran-1,3-dione
OPENEYE Name: 4-(4-aminophenoxy)aniline; 4-(4-aminophenyl)sulfonylaniline; 5-[1-(1,3-dioxoisobenzofuran-5-yl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]isobenzofuran-1,3-dione
IUPAC Name: 4-(4-aminophenoxy)aniline; 4-(4-aminophenyl)sulfonylaniline; 5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 4-(4-aminophenyl)sulfonylaniline; 4-(4-azanylphenoxy)aniline; 5-[2-[1,3-bis(oxidanylidene)-2-benzofuran-5-yl]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C43H30F6N4O9S
MOLECULAR WEIGHT: 892.775119
SMILES: C1=CC(=CC=C1N)OC2=CC=C(C=C2)N.C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N.C1=CC2=C(C=C1C(C3=CC4=C(C=C3)C(=O)OC4=O)(C(F)(F)F)C(F)(F)F)C(=O)OC2=O
CAS RN: 76431-30-6
CAS Name: carbonic acid 1-[(2R)-2-[[(ethylthio)-sulfanylidenemethyl]thio]-4-oxo-3-azetidinyl]ethyl 2,2,2-trichloroethyl ester
OPENEYE Name: 1-[(2R)-2-ethylsulfanylcarbothioylsulfanyl-4-oxo-azetidin-3-yl]ethyl 2,2,2-trichloroethyl carbonate
IUPAC Name: 1-[(2R)-2-ethylsulfanylcarbothioylsulfanyl-4-oxoazetidin-3-yl]ethyl 2,2,2-trichloroethyl carbonate
SYSTEMATIC NAME: 1-[(2R)-2-ethylsulfanylcarbothioylsulfanyl-4-oxidanylidene-azetidin-3-yl]ethyl 2,2,2-tris(chloranyl)ethyl carbonate
MOLECULAR FORMULA: C11H14Cl3NO4S3
MOLECULAR WEIGHT: 426.78716
SMILES: CCSC(=S)S[C@@H]1C(C(=O)N1)C(C)OC(=O)OCC(Cl)(Cl)Cl
CAS RN: 97416-85-8
CAS Name: 2,2-dimethyl-5-oxo-3-furancarboxylic acid
OPENEYE Name: 2,2-dimethyl-5-oxo-furan-3-carboxylic acid
IUPAC Name: 2,2-dimethyl-5-oxofuran-3-carboxylic acid
SYSTEMATIC NAME: 2,2-dimethyl-5-oxidanylidene-furan-3-carboxylic acid
MOLECULAR FORMULA: C7H8O4
MOLECULAR WEIGHT: 156.13602
SMILES: CC1(C(=CC(=O)O1)C(=O)O)C
CAS RN: 13525-76-3
CAS Name: (2R)-2-amino-3-[(2-hydroxy-2-phenylethyl)thio]propanoic acid
OPENEYE Name: (2R)-2-amino-3-(2-hydroxy-2-phenyl-ethyl)sulfanyl-propanoic acid
IUPAC Name: (2R)-2-amino-3-(2-hydroxy-2-phenylethyl)sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-(2-oxidanyl-2-phenyl-ethyl)sulfanyl-propanoic acid
MOLECULAR FORMULA: C11H15NO3S
MOLECULAR WEIGHT: 241.3067
SMILES: C1=CC=C(C=C1)C(CSC[C@@H](C(=O)O)N)O
CAS RN: 77967-46-5
CAS Name: N-methyl-N-(phenylmethyl)-4-[(1,2,5-trimethyl-3-pyrazol-2-iumyl)azo]aniline; methyl sulfate
OPENEYE Name: N-benzyl-N-methyl-4-(1,2,5-trimethylpyrazol-2-ium-3-yl)azo-aniline; methyl sulfate
IUPAC Name: N-benzyl-N-methyl-4-[(1,2,5-trimethylpyrazol-2-ium-3-yl)diazenyl]aniline; methyl sulfate
SYSTEMATIC NAME: N-methyl-N-(phenylmethyl)-4-[(1,2,5-trimethylpyrazol-2-ium-3-yl)diazenyl]aniline; methyl sulfate
MOLECULAR FORMULA: C21H27N5O4S
MOLECULAR WEIGHT: 445.53518
SMILES: CC1=CC(=[N+](N1C)C)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3.COS(=O)(=O)[O-]
CAS RN: 93841-07-7
CAS Name: 4-(phenylmethyl)phenolate; triphenyl-(phenylmethyl)phosphonium
OPENEYE Name: 4-benzylphenolate; benzyl(triphenyl)phosphonium
IUPAC Name: 4-benzylphenolate; benzyl(triphenyl)phosphanium
SYSTEMATIC NAME: 4-(phenylmethyl)phenolate; triphenyl-(phenylmethyl)phosphanium
MOLECULAR FORMULA: C38H33OP
MOLECULAR WEIGHT: 536.641781
SMILES: C1=CC=C(C=C1)CC2=CC=C(C=C2)[O-].C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
CAS RN: 73758-63-1
CAS Name: bis(3-methylphenyl)-phenylmethanamine dihydrochloride
OPENEYE Name: bis-m-tolyl(phenyl)methanamine dihydrochloride
IUPAC Name: bis(3-methylphenyl)-phenylmethanamine dihydrochloride
SYSTEMATIC NAME: bis(3-methylphenyl)-phenyl-methanamine dihydrochloride
MOLECULAR FORMULA: C21H23Cl2N
MOLECULAR WEIGHT: 360.32002
SMILES: CC1=CC(=CC=C1)C(C2=CC=CC=C2)(C3=CC=CC(=C3)C)N.Cl.Cl
CAS RN: 111211-44-0
CAS Name: tripotassium 4-[(2Z)-2-(5-carbamoyl-1-ethyl-4-methyl-2,6-dioxo-3-pyridinylidene)hydrazinyl]-6-[[4-chloro-6-[4-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-disulfonate
OPENEYE Name: tripotassium 4-[(2Z)-2-(5-carbamoyl-1-ethyl-4-methyl-2,6-dioxo-3-pyridylidene)hydrazino]-6-[[4-chloro-6-[4-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-disulfonate
IUPAC Name: tripotassium 4-[(2Z)-2-(5-carbamoyl-1-ethyl-4-methyl-2,6-dioxopyridin-3-ylidene)hydrazinyl]-6-[[4-chloro-6-[4-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-disulfonate
SYSTEMATIC NAME: tripotassium 4-[(2Z)-2-[5-aminocarbonyl-1-ethyl-4-methyl-2,6-bis(oxidanylidene)pyridin-3-ylidene]hydrazinyl]-6-[[4-chloranyl-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]benzene-1,3-disulfonate
MOLECULAR FORMULA: C26H23ClK3N9O15S4
MOLECULAR WEIGHT: 982.52002
SMILES: CCN1C(=O)C(=C(/C(=N/NC2=C(C=C(C(=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)[O-])Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])/C1=O)C)C(=O)N.[K+].[K+].[K+]
CAS RN: 19057-67-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H62O12
MOLECULAR WEIGHT: 722.90238
SMILES: C[C@@H]1CCC2([C@H]([C@H]3[C@@H](O2)CC4[C@@]3(CCC5C4CC=C6[C@@]5(CCC(C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)C)OC1
CAS RN: 73003-72-2
CAS Name: (3Z)-7-[[[[(6E)-6-[(4-ethoxy-3-sulfophenyl)hydrazinylidene]-5-oxo-7-sulfo-2-naphthalenyl]amino]-oxomethyl]amino]-4-oxo-3-[(6-sulfo-2-naphthalenyl)hydrazinylidene]-2-naphthalenesulfonic acid; 2-[2-hydroxyethyl(methyl)amino]ethanol
OPENEYE Name: (3Z)-7-[[(6E)-6-[(4-ethoxy-3-sulfo-phenyl)hydrazono]-5-oxo-7-sulfo-2-naphthyl]carbamoylamino]-4-oxo-3-[(6-sulfo-2-naphthyl)hydrazono]naphthalene-2-sulfonic acid; 2-[2-hydroxyethyl(methyl)amino]ethanol
IUPAC Name: (3Z)-7-[[(6E)-6-[(4-ethoxy-3-sulfophenyl)hydrazinylidene]-5-oxo-7-sulfonaphthalen-2-yl]carbamoylamino]-4-oxo-3-[(6-sulfonaphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonic acid; 2-[2-hydroxyethyl(methyl)amino]ethanol
SYSTEMATIC NAME: (3Z)-7-[[(6E)-6-[(4-ethoxy-3-sulfo-phenyl)hydrazinylidene]-5-oxidanylidene-7-sulfo-naphthalen-2-yl]carbamoylamino]-4-oxidanylidene-3-[(6-sulfonaphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonic acid; 2-[2-hydroxyethyl(methyl)amino]ethanol
MOLECULAR FORMULA: C59H82N10O24S4
MOLECULAR WEIGHT: 1443.59498
SMILES: CCOC1=C(C=C(C=C1)N/N=C\2/C(=CC3=C(C2=O)C=CC(=C3)NC(=O)NC4=CC5=C(C=C4)C(=O)/C(=N/NC6=CC7=C(C=C6)C=C(C=C7)S(=O)(=O)O)/C(=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.CN(CCO)CCO.CN(CCO)CCO.CN(CCO)CCO.CN(CCO)CCO
CAS RN: 85269-30-3
CAS Name: 4-[(4,4-diethyl-1-pyrazine-1,4-diiumylidene)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline sulfate
OPENEYE Name: 4-[(4,4-diethylpyrazine-1,4-diium-1-ylidene)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethyl-aniline sulfate
IUPAC Name: 4-[(4,4-diethylpyrazine-1,4-diium-1-ylidene)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline sulfate
SYSTEMATIC NAME: 4-[(4,4-diethylpyrazine-1,4-diium-1-ylidene)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethyl-aniline sulfate
MOLECULAR FORMULA: C25H34N4O4S
MOLECULAR WEIGHT: 486.62686
SMILES: CC[N+]1(C=C[N+](=C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C=C1)CC.[O-]S(=O)(=O)[O-]
CAS RN: 165038-54-0
CAS Name: sodium 2-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]acetate
OPENEYE Name: sodium 2-[1-methyl-2-(1-methyl-2-propoxy-ethoxy)ethoxy]acetate
IUPAC Name: sodium 2-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]acetate
SYSTEMATIC NAME: sodium 2-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]ethanoate
MOLECULAR FORMULA: C11H21NaO5
MOLECULAR WEIGHT: 256.27121
SMILES: CCCOCC(C)OCC(C)OCC(=O)[O-].[Na+]
CAS RN: 94086-44-9
CAS Name: [dichloro(phenyl)methyl]-dodecyl-dimethylammonium; 2-(6-methylheptyl)phenolate
OPENEYE Name: [dichloro(phenyl)methyl]-dodecyl-dimethyl-ammonium; 2-(6-methylheptyl)phenolate
IUPAC Name: [dichloro(phenyl)methyl]-dodecyl-dimethylazanium; 2-(6-methylheptyl)phenolate
SYSTEMATIC NAME: [bis(chloranyl)-phenyl-methyl]-dodecyl-dimethyl-azanium; 2-(6-methylheptyl)phenolate
MOLECULAR FORMULA: C35H57Cl2NO
MOLECULAR WEIGHT: 578.73918
SMILES: CCCCCCCCCCCC[N+](C)(C)C(C1=CC=CC=C1)(Cl)Cl.CC(C)CCCCCC1=CC=CC=C1[O-]
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