CAS RN: 85068-64-0
CAS Name: 4-[(1,2-dimethyl-1,2,4-triazol-1-ium-3-yl)azo]-N-methyl-N-(phenylmethyl)aniline; methyl sulfate
OPENEYE Name: N-benzyl-4-[(1,2-dimethyl-1,2,4-triazol-1-ium-3-yl)azo]-N-methyl-aniline; methyl sulfate
IUPAC Name: N-benzyl-4-[(1,2-dimethyl-1,2,4-triazol-1-ium-3-yl)diazenyl]-N-methylaniline; methyl sulfate
SYSTEMATIC NAME: 4-[(1,2-dimethyl-1,2,4-triazol-1-ium-3-yl)diazenyl]-N-methyl-N-(phenylmethyl)aniline; methyl sulfate
MOLECULAR FORMULA: C19H24N6O4S
MOLECULAR WEIGHT: 432.49666
SMILES: CN1C(=NC=[N+]1C)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3.COS(=O)(=O)[O-]
CAS RN: 83833-11-8
CAS Name: dimethoxymethyl-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]silicon
OPENEYE Name: dimethoxymethyl-(1,7,7-trimethylnorbornan-2-yl)oxy-silicon
IUPAC Name: dimethoxymethyl-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]silicon
SYSTEMATIC NAME: dimethoxymethyl-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]silicon
MOLECULAR FORMULA: C13H24O3Si
MOLECULAR WEIGHT: 256.41336
SMILES: CC1(C2CCC1(C(C2)O[Si]C(OC)OC)C)C
CAS RN: 85154-12-7
CAS Name: dimethyl-bis[2-(1-oxooctadecoxy)ethyl]ammonium; methyl-dioxido-oxophosphorane
OPENEYE Name: dimethyl-bis(2-octadecanoyloxyethyl)ammonium; methyl-dioxido-oxo-$l^{5}-phosphane
IUPAC Name: dimethyl-bis(2-octadecanoyloxyethyl)azanium; methyl-dioxido-oxo-$l^{5}-phosphane
SYSTEMATIC NAME: dimethyl-bis(2-octadecanoyloxyethyl)azanium; methyl-bis(oxidanidyl)-oxidanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C85H171N2O11P
MOLECULAR WEIGHT: 1428.247801
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCCCCCC.CP(=O)([O-])[O-]
CAS RN: 52610-16-9
CAS Name: (Z)-N-[3-[[(Z)-octadec-9-enyl]-[(Z)-1-oxooctadec-9-enyl]amino]propyl]-9-octadecenamide
OPENEYE Name: (Z)-N-[3-[[(Z)-octadec-9-enoyl]-[(Z)-octadec-9-enyl]amino]propyl]octadec-9-enamide
IUPAC Name: (Z)-N-[3-[[(Z)-octadec-9-enoyl]-[(Z)-octadec-9-enyl]amino]propyl]octadec-9-enamide
SYSTEMATIC NAME: (Z)-N-[3-[[(Z)-octadec-9-enoyl]-[(Z)-octadec-9-enyl]amino]propyl]octadec-9-enamide
MOLECULAR FORMULA: C57H108N2O2
MOLECULAR WEIGHT: 853.47962
SMILES: CCCCCCCC/C=C\CCCCCCCCN(CCCNC(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCC/C=C\CCCCCCCC
CAS RN: 93963-72-5
CAS Name: disodium 4-amino-3-[[4-(1-naphthalenylazo)-1-naphthalenyl]azo]naphthalene-2,7-disulfonate
OPENEYE Name: disodium 4-amino-3-[[4-(1-naphthylazo)-1-naphthyl]azo]naphthalene-2,7-disulfonate
IUPAC Name: disodium 4-amino-3-[[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazenyl]naphthalene-2,7-disulfonate
SYSTEMATIC NAME: disodium 4-azanyl-3-[[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazenyl]naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C30H19N5Na2O6S2
MOLECULAR WEIGHT: 655.6113
SMILES: C1=CC=C2C(=C1)C=CC=C2N=NC3=CC=C(C4=CC=CC=C43)N=NC5=C(C=C6C=C(C=CC6=C5N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
CAS RN: 79792-98-6
CAS Name: 3-(4-anilinophenyl)azobenzenesulfonic acid; 2-(2-hydroxyethylamino)ethanol
OPENEYE Name: 3-(4-anilinophenyl)azobenzenesulfonic acid; 2-(2-hydroxyethylamino)ethanol
IUPAC Name: 3-[(4-anilinophenyl)diazenyl]benzenesulfonic acid; 2-(2-hydroxyethylamino)ethanol
SYSTEMATIC NAME: 2-(2-hydroxyethylamino)ethanol; 3-[(4-phenylazanylphenyl)diazenyl]benzenesulfonic acid
MOLECULAR FORMULA: C22H26N4O5S
MOLECULAR WEIGHT: 458.53064
SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)O.C(CO)NCCO
CAS RN: 81489-68-1
CAS Name: [(E)-1-[4-(4-bromophenyl)phenyl]-3-(4-chlorophenyl)prop-2-enylidene]-dimethylammonium; (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate
OPENEYE Name: [(E)-1-[4-(4-bromophenyl)phenyl]-3-(4-chlorophenyl)prop-2-enylidene]-dimethyl-ammonium; (2R,3R)-2,3,4-trihydroxy-4-oxo-butanoate
IUPAC Name: [(E)-1-[4-(4-bromophenyl)phenyl]-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium; (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate
SYSTEMATIC NAME: [(E)-1-[4-(4-bromophenyl)phenyl]-3-(4-chlorophenyl)prop-2-enylidene]-dimethyl-azanium; (2R,3R)-2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C27H25BrClNO6
MOLECULAR WEIGHT: 574.8475
SMILES: C[N+](=C(/C=C/C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)C.[C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O
CAS RN: 81173-72-0
CAS Name: 4-amino-3-[5-[[4-chloro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo-6-[[5-[[4-chloro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonic acid
OPENEYE Name: 4-amino-3-[5-[[4-chloro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]azo-6-[[5-[[4-chloro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]hydrazono]-5-oxo-naphthalene-2,7-disulfonic acid
IUPAC Name: 4-amino-3-[[5-[[4-chloro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-6-[[5-[[4-chloro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonic acid
SYSTEMATIC NAME: 4-azanyl-3-[[5-[[4-chloranyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]diazenyl]-6-[[5-[[4-chloranyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]hydrazinylidene]-5-oxidanylidene-naphthalene-2,7-disulfonic ac
MOLECULAR FORMULA: C42H33Cl2N15O13S4
MOLECULAR WEIGHT: 1154.97012
SMILES: CC1=CC=CC=C1NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)S(=O)(=O)O)NN=C4C(=CC5=CC(=C(C(=C5C4=O)N)N=NC6=C(C=CC(=C6)NC7=NC(=NC(=N7)Cl)NC8=CC=CC=C8C)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Cl
CAS RN: 85409-41-2
CAS Name: (E)-2-cyano-3-(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-2-cyano-3-(6,6-dimethylnorpinan-2-yl)prop-2-enoate
IUPAC Name: ethyl (E)-2-cyano-3-(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-2-cyano-3-(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)prop-2-enoate
MOLECULAR FORMULA: C15H21NO2
MOLECULAR WEIGHT: 247.33274
SMILES: CCOC(=O)/C(=C/C1CCC2CC1C2(C)C)/C#N
CAS RN: 34150-62-4
CAS Name: calcium; disodium; iron; (5R)-2,3,4,5,6-pentahydroxyhexanoic acid; undecahydrate
OPENEYE Name: calcium; disodium; iron; (5R)-2,3,4,5,6-pentahydroxyhexanoic acid; undecahydrate
IUPAC Name: calcium; disodium; iron; (5R)-2,3,4,5,6-pentahydroxyhexanoic acid; undecahydrate
SYSTEMATIC NAME: calcium; disodium; iron; (5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoic acid; undecahydrate
MOLECULAR FORMULA: C6H34CaFe3Na2O18+4
MOLECULAR WEIGHT: 647.9159
SMILES: C([C@H](C(C(C(C(=O)O)O)O)O)O)O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Ca+2].[Fe].[Fe].[Fe]
CAS RN: 92908-40-2
CAS Name: (Z)-9-octadecenoic acid [2-hydroxy-3-(1-oxoundecoxy)propyl] ester
OPENEYE Name: (2-hydroxy-3-undecanoyloxy-propyl) (Z)-octadec-9-enoate
IUPAC Name: (2-hydroxy-3-undecanoyloxypropyl) (Z)-octadec-9-enoate
SYSTEMATIC NAME: (2-oxidanyl-3-undecanoyloxy-propyl) (Z)-octadec-9-enoate
MOLECULAR FORMULA: C32H60O5
MOLECULAR WEIGHT: 524.8158
SMILES: CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)O
CAS RN: 76404-12-1
CAS Name: calcium; acetic acid [2-[(8S,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester; 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide; 2,5-dihydroxybenzene
OPENEYE Name: calcium; 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide; 2,5-dihydroxybenzenesulfonate; [2-[(8S,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
IUPAC Name: calcium; 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide; 2,5-dihydroxybenzenesulfonate; [2-[(8S,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
SYSTEMATIC NAME: calcium; 2,5-bis(oxidanyl)benzenesulfonate; 2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide; [2-[(8S,10S,11S,13S,14S,16R,17R)-9-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl
MOLECULAR FORMULA: C50H63CaFN2O17S2
MOLECULAR WEIGHT: 1087.244823
SMILES: CCN(CC)CC(=O)NC1=C(C=CC=C1C)C.C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)F)C.C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.[Ca+2]
CAS RN: 93804-94-5
CAS Name: (2S)-5-oxo-2-pyrrolidinecarboxylic acid; N-propan-2-yl-2-propanamine
OPENEYE Name: N-isopropylpropan-2-amine; (2S)-5-oxopyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-5-oxopyrrolidine-2-carboxylic acid; N-propan-2-ylpropan-2-amine
SYSTEMATIC NAME: (2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid; N-propan-2-ylpropan-2-amine
MOLECULAR FORMULA: C11H22N2O3
MOLECULAR WEIGHT: 230.30398
SMILES: CC(C)NC(C)C.C1CC(=O)N[C@@H]1C(=O)O
CAS RN: 58762-16-6
CAS Name: 5-hexyl-7-(methylsulfonimidoyl)-9-oxo-2-xanthenecarboxylic acid methyl ester
OPENEYE Name: methyl 5-hexyl-7-(methylsulfonimidoyl)-9-oxo-xanthene-2-carboxylate
IUPAC Name: methyl 5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylate
SYSTEMATIC NAME: methyl 5-hexyl-7-(methylsulfonimidoyl)-9-oxidanylidene-xanthene-2-carboxylate
MOLECULAR FORMULA: C22H25NO5S
MOLECULAR WEIGHT: 415.5026
SMILES: CCCCCCC1=C2C(=CC(=C1)[S@@](=N)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)OC
CAS RN: 73545-21-8
CAS Name: (3E)-5-benzamido-3-[[4-[4-[(2Z)-2-(8-benzamido-1-oxo-3,6-disulfo-2-naphthalenylidene)hydrazinyl]anilino]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid
OPENEYE Name: (3E)-5-benzamido-3-[[4-[4-[(2Z)-2-(8-benzamido-1-oxo-3,6-disulfo-2-naphthylidene)hydrazino]anilino]phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonic acid
IUPAC Name: (3E)-5-benzamido-3-[[4-[4-[(2Z)-2-(8-benzamido-1-oxo-3,6-disulfonaphthalen-2-ylidene)hydrazinyl]anilino]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid
SYSTEMATIC NAME: (3E)-5-benzamido-3-[[4-[[4-[(2Z)-2-(8-benzamido-1-oxidanylidene-3,6-disulfo-naphthalen-2-ylidene)hydrazinyl]phenyl]amino]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid
MOLECULAR FORMULA: C46H33N7O16S4
MOLECULAR WEIGHT: 1068.05152
SMILES: C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(/C(=N\NC4=CC=C(C=C4)NC5=CC=C(C=C5)N/N=C\6/C(=CC7=CC(=CC(=C7C6=O)NC(=O)C8=CC=CC=C8)S(=O)(=O)O)S(=O)(=O)O)/C3=O)S(=O)(=O)O
CAS RN: 93857-24-0
CAS Name: 2-(1H-imidazol-5-yl)ethanamine; (2S)-5-oxo-2-pyrrolidinecarboxylic acid
OPENEYE Name: 2-(1H-imidazol-5-yl)ethanamine; (2S)-5-oxopyrrolidine-2-carboxylic acid
IUPAC Name: 2-(1H-imidazol-5-yl)ethanamine; (2S)-5-oxopyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 2-(1H-imidazol-5-yl)ethanamine; (2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C15H23N5O6
MOLECULAR WEIGHT: 369.37302
SMILES: C1CC(=O)N[C@@H]1C(=O)O.C1CC(=O)N[C@@H]1C(=O)O.C1=C(NC=N1)CCN
CAS RN: 72915-82-3
CAS Name: copper 7-methyloctanoate
OPENEYE Name: copper 7-methyloctanoate
IUPAC Name: copper 7-methyloctanoate
SYSTEMATIC NAME: copper 7-methyloctanoate
MOLECULAR FORMULA: C18H34CuO4
MOLECULAR WEIGHT: 378.00616
SMILES: CC(C)CCCCCC(=O)[O-].CC(C)CCCCCC(=O)[O-].[Cu+2]
CAS RN: 217813-15-5
CAS Name: methanesulfonic acid [4-[[2-[[4-(2-chlorophenyl)-1-piperazinyl]-oxomethyl]-1-[2-(dimethylamino)ethyl]-3-indolyl]-(4-hydroxyphenyl)methyl]phenyl] ester
OPENEYE Name: [4-[[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-[2-(dimethylamino)ethyl]indol-3-yl]-(4-hydroxyphenyl)methyl]phenyl] methanesulfonate
IUPAC Name: [4-[[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-[2-(dimethylamino)ethyl]indol-3-yl]-(4-hydroxyphenyl)methyl]phenyl] methanesulfonate
SYSTEMATIC NAME: [4-[[2-[4-(2-chlorophenyl)piperazin-1-yl]carbonyl-1-[2-(dimethylamino)ethyl]indol-3-yl]-(4-hydroxyphenyl)methyl]phenyl] methanesulfonate
MOLECULAR FORMULA: C37H39ClN4O5S
MOLECULAR WEIGHT: 687.24736
SMILES: CN(C)CCN1C2=CC=CC=C2C(=C1C(=O)N3CCN(CC3)C4=CC=CC=C4Cl)C(C5=CC=C(C=C5)O)C6=CC=C(C=C6)OS(=O)(=O)C
CAS RN: 94200-46-1
CAS Name: diammonium (4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heneicosafluoro-2-hydroxytridecyl) phosphate
OPENEYE Name: diammonium (4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-hydroxy-tridecyl) phosphate
IUPAC Name: diazanium (4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-hydroxytridecyl) phosphate
SYSTEMATIC NAME: diazanium [4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosakis(fluoranyl)-2-oxidanyl-tridecyl] phosphate
MOLECULAR FORMULA: C13H14F21N2O5P
MOLECULAR WEIGHT: 708.200888
SMILES: C(C(COP(=O)([O-])[O-])O)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[NH4+].[NH4+]
CAS RN: 16845-61-7
CAS Name: N,N-dipentyl-1-pentanamine; phenol
OPENEYE Name: N,N-dipentylpentan-1-amine; phenol
IUPAC Name: N,N-dipentylpentan-1-amine; phenol
SYSTEMATIC NAME: N,N-dipentylpentan-1-amine; phenol
MOLECULAR FORMULA: C21H39NO
MOLECULAR WEIGHT: 321.54046
SMILES: CCCCCN(CCCCC)CCCCC.C1=CC=C(C=C1)O
CAS RN: 70788-53-3
CAS Name: potassium; 1,1,2,2-tetrafluoroethene; 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropanoate
OPENEYE Name: potassium; 3-[1-[difluoro(1,2,2-trifluorovinyloxy)methyl]-1,2,2,2-tetrafluoro-ethoxy]-2,2,3,3-tetrafluoro-propanoate; 1,1,2,2-tetrafluoroethylene
IUPAC Name: potassium; 1,1,2,2-tetrafluoroethene; 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropanoate
SYSTEMATIC NAME: potassium; 1,1,2,2-tetrakis(fluoranyl)ethene; 2,2,3,3-tetrakis(fluoranyl)-3-[1,1,1,2,3,3-hexakis(fluoranyl)-3-[1,2,2-tris(fluoranyl)ethenoxy]propan-2-yl]oxy-propanoate
MOLECULAR FORMULA: C10F17KO4
MOLECULAR WEIGHT: 546.175754
SMILES: C(=C(F)F)(OC(C(C(F)(F)F)(OC(C(C(=O)[O-])(F)F)(F)F)F)(F)F)F.C(=C(F)F)(F)F.[K+]
CAS RN: 93942-32-6
CAS Name: (E)-3-phenyl-2-propenoic acid; 2-(1-piperazinyl)ethanamine
OPENEYE Name: (E)-3-phenylprop-2-enoic acid; 2-piperazin-1-ylethanamine
IUPAC Name: (E)-3-phenylprop-2-enoic acid; 2-piperazin-1-ylethanamine
SYSTEMATIC NAME: (E)-3-phenylprop-2-enoic acid; 2-piperazin-1-ylethanamine
MOLECULAR FORMULA: C15H23N3O2
MOLECULAR WEIGHT: 277.36202
SMILES: C1CN(CCN1)CCN.C1=CC=C(C=C1)/C=C/C(=O)O
CAS RN: 150044-75-0
CAS Name: 3-[[[1-[4-(diaminomethylideneamino)-1-oxobutyl]-3-piperidinyl]-oxomethyl]amino]propanoic acid
OPENEYE Name: 3-[[1-(4-guanidinobutanoyl)piperidine-3-carbonyl]amino]propanoic acid
IUPAC Name: 3-[[1-[4-(diaminomethylideneamino)butanoyl]piperidine-3-carbonyl]amino]propanoic acid
SYSTEMATIC NAME: 3-[[1-[4-[bis(azanyl)methylideneamino]butanoyl]piperidin-3-yl]carbonylamino]propanoic acid
MOLECULAR FORMULA: C14H25N5O4
MOLECULAR WEIGHT: 327.3794
SMILES: C1CC(CN(C1)C(=O)CCCN=C(N)N)C(=O)NCCC(=O)O
CAS RN: 70942-07-3
CAS Name: 3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione; 1,3-dioxo-5-isobenzofurancarboxylic acid; 2-(2-hydroxyethoxy)ethanol
OPENEYE Name: 3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione; 1,3-dioxoisobenzofuran-5-carboxylic acid; 2-(2-hydroxyethoxy)ethanol
IUPAC Name: 3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione; 1,3-dioxo-2-benzofuran-5-carboxylic acid; 2-(2-hydroxyethoxy)ethanol
SYSTEMATIC NAME: 3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione; 1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid; 2-(2-hydroxyethyloxy)ethanol
MOLECULAR FORMULA: C21H22O11
MOLECULAR WEIGHT: 450.39278
SMILES: C1C=CCC2C1C(=O)OC2=O.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O.C(COCCO)O
CAS RN: 3624-46-2
CAS Name: trisodium [[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
OPENEYE Name: trisodium [[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] hydrogen phosphate
IUPAC Name: trisodium [[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
SYSTEMATIC NAME: trisodium [[[(2R,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl] hydrogen phosphate
MOLECULAR FORMULA: C10H14N2Na3O14P3
MOLECULAR WEIGHT: 548.113753
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2CC([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O.[Na+].[Na+].[Na+]
CAS RN: 10294-58-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: O4P2Pb
MOLECULAR WEIGHT: 333.145122
SMILES: [O-]P=O.[O-]P=O.[Pb+2]
CAS RN: 83863-49-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H18
MOLECULAR WEIGHT: 402.48532
SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=C5C=CC6=C7C5=C4C=CC7=CC8=CC=CC=C68
CAS RN: 93892-05-8
CAS Name: 3-methylbutanoic acid [(1S,2S,5S)-2-methyl-5-(1-methylethenyl)cyclohexyl] ester
OPENEYE Name: [(1S,2S,5S)-5-isopropenyl-2-methyl-cyclohexyl] 3-methylbutanoate
IUPAC Name: [(1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl] 3-methylbutanoate
SYSTEMATIC NAME: [(1S,2S,5S)-2-methyl-5-prop-1-en-2-yl-cyclohexyl] 3-methylbutanoate
MOLECULAR FORMULA: C15H26O2
MOLECULAR WEIGHT: 238.36574
SMILES: C[C@H]1CC[C@@H](C[C@@H]1OC(=O)CC(C)C)C(=C)C
CAS RN: 93923-91-2
CAS Name: 7-(2-methoxyphenyl)azo-1,2-dimethyl-6-indazol-2-iumamine chloride
OPENEYE Name: 7-(2-methoxyphenyl)azo-1,2-dimethyl-indazol-2-ium-6-amine chloride
IUPAC Name: 7-[(2-methoxyphenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-amine chloride
SYSTEMATIC NAME: 7-[(2-methoxyphenyl)diazenyl]-1,2-dimethyl-indazol-2-ium-6-amine chloride
MOLECULAR FORMULA: C16H18ClN5O
MOLECULAR WEIGHT: 331.80002
SMILES: CN1C2=C(C=CC(=C2N=NC3=CC=CC=C3OC)N)C=[N+]1C.[Cl-]
CAS RN: 94200-48-3
CAS Name: diammonium (4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-nonacosafluoro-2-hydroxyheptadecyl) phosphate
OPENEYE Name: diammonium (4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-nonacosafluoro-2-hydroxy-heptadecyl) phosphate
IUPAC Name: diazanium (4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-nonacosafluoro-2-hydroxyheptadecyl) phosphate
SYSTEMATIC NAME: diazanium [4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-nonacosakis(fluoranyl)-2-oxidanyl-heptadecyl] phosphate
MOLECULAR FORMULA: C17H14F29N2O5P
MOLECULAR WEIGHT: 908.230914
SMILES: C(C(COP(=O)([O-])[O-])O)C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[NH4+].[NH4+]
CAS RN: 85030-04-2
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; octanedioic acid
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; octanedioic acid
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; octanedioic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; octanedioic acid
MOLECULAR FORMULA: C20H44N2O10
MOLECULAR WEIGHT: 472.57076
SMILES: C(CCCC(=O)O)CCC(=O)O.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO
CAS RN: 74398-68-8
CAS Name: trisodium 2,5-bis[[[4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]azo]phenyl]-oxomethyl]amino]benzenesulfonate
OPENEYE Name: trisodium 2,5-bis[[4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]azo]benzoyl]amino]benzenesulfonate
IUPAC Name: trisodium 2,5-bis[[4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzoyl]amino]benzenesulfonate
SYSTEMATIC NAME: trisodium 2,5-bis[[4-[[3-methyl-5-oxidanylidene-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]carbonylamino]benzenesulfonate
MOLECULAR FORMULA: C40H29N10Na3O13S3
MOLECULAR WEIGHT: 1022.88177
SMILES: CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)N=NC5C(=NN(C5=O)C6=CC=C(C=C6)S(=O)(=O)[O-])C)S(=O)(=O)[O-])C7=CC=C(C=C7)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
CAS RN: 103661-10-5
CAS Name: 4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1,4-thiazinane 1-oxide
OPENEYE Name: 4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1,4-thiazinane 1-oxide
IUPAC Name: 4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1,4-thiazinane 1-oxide
SYSTEMATIC NAME: 4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1,4-thiazinane 1-oxide
MOLECULAR FORMULA: C23H24Cl2N4O4S
MOLECULAR WEIGHT: 523.43206
SMILES: C1CS(=O)CCN1C2=CC=C(C=C2)OC[C@@H]3CO[C@@](O3)(CN4C=NC=N4)C5=C(C=C(C=C5)Cl)Cl
CAS RN: 72429-02-8
CAS Name: disodium (3Z)-6-acetamido-3-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonate
OPENEYE Name: disodium (3Z)-6-acetamido-3-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonate
IUPAC Name: disodium (3Z)-6-acetamido-3-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonate
SYSTEMATIC NAME: disodium (3Z)-6-acetamido-3-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate
MOLECULAR FORMULA: C21H19N3Na2O12S3
MOLECULAR WEIGHT: 647.563
SMILES: CC(=O)NC1=CC2=C(C=C1)C=C(/C(=N\NC3=CC(=C(C=C3)OC)S(=O)(=O)CCOS(=O)(=O)[O-])/C2=O)S(=O)(=O)[O-].[Na+].[Na+]
CAS RN: 12004-19-2
CAS Name: aluminum; dysprosium
OPENEYE Name: aluminum; dysprosium
IUPAC Name: aluminum; dysprosium
SYSTEMATIC NAME: aluminum; dysprosium
MOLECULAR FORMULA: Al2Dy
MOLECULAR WEIGHT: 216.463076
SMILES: [Al].[Al].[Dy]
CAS RN: 93940-73-9
CAS Name: 4-[(7-chloro-4-quinolinyl)amino]-2-(diethylaminomethyl)phenol; (2S)-5-oxo-2-pyrrolidinecarboxylic acid
OPENEYE Name: 4-[(7-chloro-4-quinolyl)amino]-2-(diethylaminomethyl)phenol; (2S)-5-oxopyrrolidine-2-carboxylic acid
IUPAC Name: 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol; (2S)-5-oxopyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 4-[(7-chloranylquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol; (2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C30H36ClN5O7
MOLECULAR WEIGHT: 614.08914
SMILES: CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.C1CC(=O)N[C@@H]1C(=O)O.C1CC(=O)N[C@@H]1C(=O)O
CAS RN: 73398-48-8
CAS Name: hexasodium 2-[4-[(E)-2-[4-[[4-(4-morpholinyl)-6-[3-sulfonato-4-[(E)-2-[2-sulfonato-4-(5-sulfonato-2-benzo[e]benzotriazolyl)phenyl]ethenyl]anilino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]-5-benzo[e]benzotriazolesulfonate
OPENEYE Name: hexasodium 2-[4-[(E)-2-[4-[[4-morpholino-6-[3-sulfonato-4-[(E)-2-[2-sulfonato-4-(5-sulfonatobenzo[e]benzotriazol-2-yl)phenyl]vinyl]anilino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]-3-sulfonato-phenyl]benzo[e]benzotriazole-5-sulfonate
IUPAC Name: hexasodium 2-[4-[(E)-2-[4-[[4-morpholin-4-yl-6-[3-sulfonato-4-[(E)-2-[2-sulfonato-4-(5-sulfonatobenzo[e]benzotriazol-2-yl)phenyl]ethenyl]anilino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]benzo[e]benzotriazole-5-sulfonate
SYSTEMATIC NAME: hexasodium 2-[4-[(E)-2-[4-[[4-morpholin-4-yl-6-[[3-sulfonato-4-[(E)-2-[2-sulfonato-4-(5-sulfonatobenzo[e]benzotriazol-2-yl)phenyl]ethenyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]-3-sulfonato-phenyl]benzo[e]benzotriazole-5-sulfon
MOLECULAR FORMULA: C55H36N12Na6O19S6
MOLECULAR WEIGHT: 1499.27196
SMILES: C1COCCN1C2=NC(=NC(=N2)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)N5N=C6C=C(C7=CC=CC=C7C6=N5)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC8=CC(=C(C=C8)/C=C/C9=C(C=C(C=C9)N1N=C2C=C(C3=CC=CC=C3C2=N1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na
CAS RN: 161908-09-4
CAS Name: 4-aminobenzenesulfonamide; 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol; 2-[[4-[2-[4-(2-oxiranylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
OPENEYE Name: 4-aminobenzenesulfonamide; 2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxy-phenyl)-1-methyl-ethyl]phenol; 2-[[4-[1-methyl-1-[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
IUPAC Name: 4-aminobenzenesulfonamide; 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol; 2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
SYSTEMATIC NAME: 4-azanylbenzenesulfonamide; 4-[2-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]propan-2-yl]-2,6-bis(bromanyl)phenol; 2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
MOLECULAR FORMULA: C42H44Br4N2O8S
MOLECULAR WEIGHT: 1056.48836
SMILES: CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4.CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br.C1=CC(=CC=C1N)S(=O)(=O)N
CAS RN: 84682-34-8
CAS Name: 2-[bis(2-carboxyphenoxy)-methylsilyl]oxybenzoic acid
OPENEYE Name: 2-[bis(2-carboxyphenoxy)-methyl-silyl]oxybenzoic acid
IUPAC Name: 2-[bis(2-carboxyphenoxy)-methylsilyl]oxybenzoic acid
SYSTEMATIC NAME: 2-[bis(2-carboxyphenoxy)-methyl-silyl]oxybenzoic acid
MOLECULAR FORMULA: C22H18O9Si
MOLECULAR WEIGHT: 454.45842
SMILES: C[Si](OC1=CC=CC=C1C(=O)O)(OC2=CC=CC=C2C(=O)O)OC3=CC=CC=C3C(=O)O
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