CAS RN: 85188-03-0
CAS Name: 4-[(4-amino-3-methylphenyl)-(4-imino-3-methyl-1-cyclohexa-2,5-dienylidene)methyl]-2-methylaniline; sulfuric acid methyl ester
OPENEYE Name: 4-[(4-amino-3-methyl-phenyl)-(4-imino-3-methyl-cyclohexa-2,5-dien-1-ylidene)methyl]-2-methyl-aniline; methyl hydrogen sulfate
IUPAC Name: 4-[(4-amino-3-methylphenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline; methyl hydrogen sulfate
SYSTEMATIC NAME: 4-[(4-azanylidene-3-methyl-cyclohexa-2,5-dien-1-ylidene)-(4-azanyl-3-methyl-phenyl)methyl]-2-methyl-aniline; methyl hydrogen sulfate
MOLECULAR FORMULA: C23H27N3O4S
MOLECULAR WEIGHT: 441.54318
SMILES: CC1=CC(=C(C2=CC(=C(C=C2)N)C)C3=CC(=C(C=C3)N)C)C=CC1=N.COS(=O)(=O)O
CAS RN: 98510-84-0
CAS Name: butan-2-yl 2-methylpropyl hydrogen phosphate; 2-ethyl-N-(2-ethylhexyl)-1-hexanamine
OPENEYE Name: 2-ethyl-N-(2-ethylhexyl)hexan-1-amine; isobutyl sec-butyl hydrogen phosphate
IUPAC Name: butan-2-yl 2-methylpropyl hydrogen phosphate; 2-ethyl-N-(2-ethylhexyl)hexan-1-amine
SYSTEMATIC NAME: butan-2-yl 2-methylpropyl hydrogen phosphate; 2-ethyl-N-(2-ethylhexyl)hexan-1-amine
MOLECULAR FORMULA: C24H54NO4P
MOLECULAR WEIGHT: 451.663621
SMILES: CCCCC(CC)CNCC(CC)CCCC.CCC(C)OP(=O)(O)OCC(C)C
CAS RN: 94094-32-3
CAS Name: acetic acid; N,N-bis(2-hydroxyethyl)hexadecanamide
OPENEYE Name: acetic acid; N,N-bis(2-hydroxyethyl)hexadecanamide
IUPAC Name: acetic acid; N,N-bis(2-hydroxyethyl)hexadecanamide
SYSTEMATIC NAME: N,N-bis(2-hydroxyethyl)hexadecanamide; ethanoic acid
MOLECULAR FORMULA: C22H45NO5
MOLECULAR WEIGHT: 403.5964
SMILES: CCCCCCCCCCCCCCCC(=O)N(CCO)CCO.CC(=O)O
CAS RN: 93778-07-5
CAS Name: 4-[[4-amino-3-[(4-aminophenyl)methyl]phenyl]methyl]-2,6-dimethylaniline
OPENEYE Name: 4-[[4-amino-3-[(4-aminophenyl)methyl]phenyl]methyl]-2,6-dimethyl-aniline
IUPAC Name: 4-[[4-amino-3-[(4-aminophenyl)methyl]phenyl]methyl]-2,6-dimethylaniline
SYSTEMATIC NAME: 4-[[3-[(4-aminophenyl)methyl]-4-azanyl-phenyl]methyl]-2,6-dimethyl-aniline
MOLECULAR FORMULA: C22H25N3
MOLECULAR WEIGHT: 331.454
SMILES: CC1=CC(=CC(=C1N)C)CC2=CC(=C(C=C2)N)CC3=CC=C(C=C3)N
CAS RN: 94023-31-1
CAS Name: acetic acid; (E)-N-[2-[2-[2-[[(E)-1-oxooctadec-9-enyl]amino]ethylamino]ethylamino]ethyl]-9-octadecenamide
OPENEYE Name: acetic acid; (E)-N-[2-[2-[2-[[(E)-octadec-9-enoyl]amino]ethylamino]ethylamino]ethyl]octadec-9-enamide
IUPAC Name: acetic acid; (E)-N-[2-[2-[2-[[(E)-octadec-9-enoyl]amino]ethylamino]ethylamino]ethyl]octadec-9-enamide
SYSTEMATIC NAME: ethanoic acid; (E)-N-[2-[2-[2-[[(E)-octadec-9-enoyl]amino]ethylamino]ethylamino]ethyl]octadec-9-enamide
MOLECULAR FORMULA: C44H86N4O4
MOLECULAR WEIGHT: 735.17804
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCC/C=C/CCCCCCCC.CC(=O)O
CAS RN: 167078-18-4
CAS Name: 1-(2-hydroxypropylamino)-2-propanol; 2-methyl-2-propenoic acid octadecyl ester; 2-propenoic acid
OPENEYE Name: acrylic acid; 1-(2-hydroxypropylamino)propan-2-ol; octadecyl 2-methylprop-2-enoate
IUPAC Name: 1-(2-hydroxypropylamino)propan-2-ol; octadecyl 2-methylprop-2-enoate; prop-2-enoic acid
SYSTEMATIC NAME: octadecyl 2-methylprop-2-enoate; 1-(2-oxidanylpropylamino)propan-2-ol; prop-2-enoic acid
MOLECULAR FORMULA: C31H61NO6
MOLECULAR WEIGHT: 543.81914
SMILES: CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C.CC(CNCC(C)O)O.C=CC(=O)O
CAS RN: 97467-72-6
CAS Name: 3,5,5-trimethylhexanoic acid [2-hydroxy-3-(3,5,5-trimethyl-1-oxohexoxy)propyl] ester
OPENEYE Name: [2-hydroxy-3-(3,5,5-trimethylhexanoyloxy)propyl] 3,5,5-trimethylhexanoate
IUPAC Name: [2-hydroxy-3-(3,5,5-trimethylhexanoyloxy)propyl] 3,5,5-trimethylhexanoate
SYSTEMATIC NAME: [2-oxidanyl-3-(3,5,5-trimethylhexanoyloxy)propyl] 3,5,5-trimethylhexanoate
MOLECULAR FORMULA: C21H40O5
MOLECULAR WEIGHT: 372.5393
SMILES: CC(CC(=O)OCC(COC(=O)CC(C)CC(C)(C)C)O)CC(C)(C)C
CAS RN: 94246-95-4
CAS Name: cerium(3+); 6-methylheptanoate
OPENEYE Name: cerium(3+); 6-methylheptanoate
IUPAC Name: cerium(3+); 6-methylheptanoate
SYSTEMATIC NAME: cerium(3+); 6-methylheptanoate
MOLECULAR FORMULA: C24H45CeO6
MOLECULAR WEIGHT: 569.7265
SMILES: CC(C)CCCCC(=O)[O-].CC(C)CCCCC(=O)[O-].CC(C)CCCCC(=O)[O-].[Ce+3]
CAS RN: 12408-43-4
CAS Name: dialuminum; calcium; barium(2+); oxygen(2-)
OPENEYE Name: dialuminum; calcium; barium(2+); oxygen(2-)
IUPAC Name: dialuminum; calcium; barium(2+); oxygen(2-)
SYSTEMATIC NAME: dialuminum; calcium; barium(2+); oxygen(2-)
MOLECULAR FORMULA: Al2Ba2CaO6
MOLECULAR WEIGHT: 464.691476
SMILES: [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Al+3].[Al+3].[Ca+2].[Ba+2].[Ba+2]
CAS RN: 14000-16-9
CAS Name: 2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde
OPENEYE Name: 2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-acetaldehyde
IUPAC Name: 2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde
SYSTEMATIC NAME: 2-[(8S,9S,10R,11S,13S,14S,17S)-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethanal
MOLECULAR FORMULA: C21H26O4
MOLECULAR WEIGHT: 342.42874
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)C=O)CCC4=CC(=O)C=C[C@]34C)O
CAS RN: 93857-12-6
CAS Name: 2-(1-ethyl-2-pentadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol; ethyl sulfate
OPENEYE Name: 2-(1-ethyl-2-pentadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol; ethyl sulfate
IUPAC Name: 2-(1-ethyl-2-pentadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol; ethyl sulfate
SYSTEMATIC NAME: 2-(1-ethyl-2-pentadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol; ethyl sulfate
MOLECULAR FORMULA: C24H50N2O5S
MOLECULAR WEIGHT: 478.7292
SMILES: CCCCCCCCCCCCCCCC1=NCC[N+]1(CC)CCO.CCOS(=O)(=O)[O-]
CAS RN: 73716-60-6
CAS Name: 1,4-dichlorobutane; N,N,N',N'-tetramethylethane-1,2-diamine
OPENEYE Name: 1,4-dichlorobutane; N,N,N',N'-tetramethylethane-1,2-diamine
IUPAC Name: 1,4-dichlorobutane; N,N,N',N'-tetramethylethane-1,2-diamine
SYSTEMATIC NAME: 1,4-bis(chloranyl)butane; N,N,N',N'-tetramethylethane-1,2-diamine
MOLECULAR FORMULA: C10H24Cl2N2
MOLECULAR WEIGHT: 243.21696
SMILES: CN(C)CCN(C)C.C(CCCl)CCl
CAS RN: 93904-67-7
CAS Name: acetic acid; acetic acid 2-[3-(2-acetyloxyethyl)-4-amino-2-methylphenyl]ethyl ester
OPENEYE Name: acetic acid; 2-[3-(2-acetoxyethyl)-4-amino-2-methyl-phenyl]ethyl acetate
IUPAC Name: acetic acid; 2-[3-(2-acetyloxyethyl)-4-amino-2-methylphenyl]ethyl acetate
SYSTEMATIC NAME: 2-[3-(2-acetyloxyethyl)-4-azanyl-2-methyl-phenyl]ethyl ethanoate; ethanoic acid
MOLECULAR FORMULA: C17H25NO6
MOLECULAR WEIGHT: 339.3835
SMILES: CC1=C(C=CC(=C1CCOC(=O)C)N)CCOC(=O)C.CC(=O)O
CAS RN: 94405-95-5
CAS Name: 2-[(2-methyl-1-oxopropyl)-octadecylamino]-4-oxo-4-[(3-oxo-1,2-dihydroindazol-6-yl)amino]butanoic acid
OPENEYE Name: 2-[2-methylpropanoyl(octadecyl)amino]-4-oxo-4-[(3-oxo-1,2-dihydroindazol-6-yl)amino]butanoic acid
IUPAC Name: 2-[2-methylpropanoyl(octadecyl)amino]-4-oxo-4-[(3-oxo-1,2-dihydroindazol-6-yl)amino]butanoic acid
SYSTEMATIC NAME: 2-[2-methylpropanoyl(octadecyl)amino]-4-oxidanylidene-4-[(3-oxidanylidene-1,2-dihydroindazol-6-yl)amino]butanoic acid
MOLECULAR FORMULA: C33H54N4O5
MOLECULAR WEIGHT: 586.80566
SMILES: CCCCCCCCCCCCCCCCCCN(C(CC(=O)NC1=CC2=C(C=C1)C(=O)NN2)C(=O)O)C(=O)C(C)C
CAS RN: 94232-41-4
CAS Name: zinc N,N-diethyl-3-methoxy-4-[(6-methoxy-2-methyl-3-pyridazin-2-iumyl)azo]aniline trichloride
OPENEYE Name: zinc N,N-diethyl-3-methoxy-4-(6-methoxy-2-methyl-pyridazin-2-ium-3-yl)azo-aniline trichloride
IUPAC Name: zinc N,N-diethyl-3-methoxy-4-[(6-methoxy-2-methylpyridazin-2-ium-3-yl)diazenyl]aniline trichloride
SYSTEMATIC NAME: zinc N,N-diethyl-3-methoxy-4-[(6-methoxy-2-methyl-pyridazin-2-ium-3-yl)diazenyl]aniline trichloride
MOLECULAR FORMULA: C17H24Cl3N5O2Zn
MOLECULAR WEIGHT: 502.17276
SMILES: CCN(CC)C1=CC(=C(C=C1)N=NC2=[N+](N=C(C=C2)OC)C)OC.[Cl-].[Cl-].[Cl-].[Zn+2]
CAS RN: 83969-23-7
CAS Name: 2-[2-(2-chlorophenyl)-3-methyl-3,4-dihydropyrazol-5-yl]-1,3,3-trimethylindol-1-ium acetate
OPENEYE Name: 2-[2-(2-chlorophenyl)-3-methyl-3,4-dihydropyrazol-5-yl]-1,3,3-trimethyl-indol-1-ium acetate
IUPAC Name: 2-[2-(2-chlorophenyl)-3-methyl-3,4-dihydropyrazol-5-yl]-1,3,3-trimethylindol-1-ium acetate
SYSTEMATIC NAME: 2-[2-(2-chlorophenyl)-3-methyl-3,4-dihydropyrazol-5-yl]-1,3,3-trimethyl-indol-1-ium ethanoate
MOLECULAR FORMULA: C23H26ClN3O2
MOLECULAR WEIGHT: 411.92444
SMILES: CC1CC(=NN1C2=CC=CC=C2Cl)C3=[N+](C4=CC=CC=C4C3(C)C)C.CC(=O)[O-]
CAS RN: 75150-31-1
CAS Name: N-[3-(dimethylamino)propyl]-2-propenamide; 2-propenamide; sulfuric acid
OPENEYE Name: N-[3-(dimethylamino)propyl]prop-2-enamide; prop-2-enamide; sulfuric acid
IUPAC Name: N-[3-(dimethylamino)propyl]prop-2-enamide; prop-2-enamide; sulfuric acid
SYSTEMATIC NAME: N-[3-(dimethylamino)propyl]prop-2-enamide; prop-2-enamide; sulfuric acid
MOLECULAR FORMULA: C19H39N5O7S
MOLECULAR WEIGHT: 481.60726
SMILES: CN(C)CCCNC(=O)C=C.CN(C)CCCNC(=O)C=C.C=CC(=O)N.OS(=O)(=O)O
CAS RN: 84864-67-5
CAS Name: 5-[2,3-dihydroxy-5-[(E)-octadec-9-enoxy]-3-[[(E)-octadec-9-enoxy]-oxomethyl]-1,5-dioxopentoxy]-3-[hexadecoxy(oxo)methyl]-4-methyl-3-(2-octadecan-2-yloxy-2-oxoethyl)pentanoic acid
OPENEYE Name: 5-[2,3-dihydroxy-5-[(E)-octadec-9-enoxy]-3-[(E)-octadec-9-enoxy]carbonyl-5-oxo-pentanoyl]oxy-3-hexadecoxycarbonyl-4-methyl-3-[2-(1-methylheptadecoxy)-2-oxo-ethyl]pentanoic acid
IUPAC Name: 5-[2,3-dihydroxy-5-[(E)-octadec-9-enoxy]-3-[(E)-octadec-9-enoxy]carbonyl-5-oxopentanoyl]oxy-3-hexadecoxycarbonyl-4-methyl-3-(2-octadecan-2-yloxy-2-oxoethyl)pentanoic acid
SYSTEMATIC NAME: 3-hexadecoxycarbonyl-4-methyl-3-(2-octadecan-2-yloxy-2-oxidanylidene-ethyl)-5-[5-[(E)-octadec-9-enoxy]-3-[(E)-octadec-9-enoxy]carbonyl-2,3-bis(oxidanyl)-5-oxidanylidene-pentanoyl]oxy-pentanoic acid
MOLECULAR FORMULA: C85H156O14
MOLECULAR WEIGHT: 1402.13974
SMILES: CCCCCCCCCCCCCCCCC(C)OC(=O)CC(CC(=O)O)(C(C)COC(=O)C(C(CC(=O)OCCCCCCCC/C=C/CCCCCCCC)(C(=O)OCCCCCCCC/C=C/CCCCCCCC)O)O)C(=O)OCCCCCCCCCCCCCCCC
CAS RN: 85750-17-0
CAS Name: disodium (3Z)-5-amino-3-[[2-methyl-5-(phenylsulfamoyl)phenyl]hydrazinylidene]-6-(4-nitrophenyl)azo-4-oxonaphthalene-2,7-disulfonate
OPENEYE Name: disodium (3Z)-5-amino-3-[[2-methyl-5-(phenylsulfamoyl)phenyl]hydrazono]-6-(4-nitrophenyl)azo-4-oxo-naphthalene-2,7-disulfonate
IUPAC Name: disodium (3Z)-5-amino-3-[[2-methyl-5-(phenylsulfamoyl)phenyl]hydrazinylidene]-6-[(4-nitrophenyl)diazenyl]-4-oxonaphthalene-2,7-disulfonate
SYSTEMATIC NAME: disodium (3Z)-5-azanyl-3-[[2-methyl-5-(phenylsulfamoyl)phenyl]hydrazinylidene]-6-[(4-nitrophenyl)diazenyl]-4-oxidanylidene-naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C29H21N7Na2O11S3
MOLECULAR WEIGHT: 785.69188
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2)N/N=C/3\C(=CC4=CC(=C(C(=C4C3=O)N)N=NC5=CC=C(C=C5)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
CAS RN: 85940-69-8
CAS Name: 1-chloro-3-[1-chloro-3-(1-chloro-3-tridecoxypropan-2-yl)oxypropan-2-yl]oxy-2-propanol; N,N-dimethylmethanamine
OPENEYE Name: 1-chloro-3-[1-(chloromethyl)-2-[1-(chloromethyl)-2-tridecoxy-ethoxy]ethoxy]propan-2-ol; N,N-dimethylmethanamine
IUPAC Name: 1-chloro-3-[1-chloro-3-(1-chloro-3-tridecoxypropan-2-yl)oxypropan-2-yl]oxypropan-2-ol; N,N-dimethylmethanamine
SYSTEMATIC NAME: 1-chloranyl-3-[1-chloranyl-3-(1-chloranyl-3-tridecoxy-propan-2-yl)oxy-propan-2-yl]oxy-propan-2-ol; N,N-dimethylmethanamine
MOLECULAR FORMULA: C25H52Cl3NO4
MOLECULAR WEIGHT: 537.04368
SMILES: CCCCCCCCCCCCCOCC(CCl)OCC(CCl)OCC(CCl)O.CN(C)C
CAS RN: 93918-33-3
CAS Name: 2-[(5-butyl-2,8-dioxo-1,9-dioxa-4,6-dithia-5-stannacycloundec-5-yl)thio]acetic acid 2-[2-[(5-butyl-2,8-dioxo-1,9-dioxa-4,6-dithia-5-stannacycloundec-5-yl)thio]-1-oxoethoxy]ethyl ester
OPENEYE Name: 2-[2-[(5-butyl-2,8-dioxo-1,9-dioxa-4,6-dithia-5-stannacycloundec-5-yl)sulfanyl]acetyl]oxyethyl 2-[(5-butyl-2,8-dioxo-1,9-dioxa-4,6-dithia-5-stannacycloundec-5-yl)sulfanyl]acetate
IUPAC Name: 2-[2-[(5-butyl-2,8-dioxo-1,9-dioxa-4,6-dithia-5-stannacycloundec-5-yl)sulfanyl]acetyl]oxyethyl 2-[(5-butyl-2,8-dioxo-1,9-dioxa-4,6-dithia-5-stannacycloundec-5-yl)sulfanyl]acetate
SYSTEMATIC NAME: 2-[2-[[5-butyl-2,8-bis(oxidanylidene)-1,9-dioxa-4,6-dithia-5-stannacycloundec-5-yl]sulfanyl]ethanoyloxy]ethyl 2-[[5-butyl-2,8-bis(oxidanylidene)-1,9-dioxa-4,6-dithia-5-stannacycloundec-5-yl]sulfanyl]ethanoate
MOLECULAR FORMULA: C26H42O12S6Sn2
MOLECULAR WEIGHT: 976.41448
SMILES: CCCC[Sn]1(SCC(=O)OCCOC(=O)CS1)SCC(=O)OCCOC(=O)CS[Sn]2(SCC(=O)OCCOC(=O)CS2)CCCC
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