CAS RN: 479353-29-2
CAS Name: sodium; 3-hydroxy-2,2-bis(hydroxymethyl)-1-heptanesulfonate; 2-methyloxirane; oxirane
OPENEYE Name: sodium; 3-hydroxy-2,2-bis(hydroxymethyl)heptane-1-sulfonate; 2-methyloxirane; oxirane
IUPAC Name: sodium; 3-hydroxy-2,2-bis(hydroxymethyl)heptane-1-sulfonate; 2-methyloxirane; oxirane
SYSTEMATIC NAME: sodium; 2,2-bis(hydroxymethyl)-3-oxidanyl-heptane-1-sulfonate; 2-methyloxirane; oxirane
MOLECULAR FORMULA: C14H29NaO8S
MOLECULAR WEIGHT: 380.43003
SMILES: CCCCC(C(CO)(CO)CS(=O)(=O)[O-])O.CC1CO1.C1CO1.[Na+]
CAS RN: 94006-03-8
CAS Name: 2'-(2-chloroanilino)-6'-[ethyl(hexyl)amino]-1-spiro[isobenzofuran-3,9'-xanthene]one
OPENEYE Name: 2'-(2-chloroanilino)-6'-[ethyl(hexyl)amino]spiro[isobenzofuran-3,9'-xanthene]-1-one
IUPAC Name: 2'-(2-chloroanilino)-6'-[ethyl(hexyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one
SYSTEMATIC NAME: 2'-[(2-chlorophenyl)amino]-6'-[ethyl(hexyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one
MOLECULAR FORMULA: C34H33ClN2O3
MOLECULAR WEIGHT: 553.09042
SMILES: CCCCCCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)NC6=CC=CC=C6Cl
CAS RN: 85153-80-6
CAS Name: (2S)-2-amino-4-(methylthio)butanoic acid; (2S)-5-oxo-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-2-amino-4-methylsulfanyl-butanoic acid; (2S)-5-oxopyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-2-amino-4-methylsulfanylbutanoic acid; (2S)-5-oxopyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-2-azanyl-4-methylsulfanyl-butanoic acid; (2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C10H18N2O5S
MOLECULAR WEIGHT: 278.32532
SMILES: CSCC[C@@H](C(=O)O)N.C1CC(=O)N[C@@H]1C(=O)O
CAS RN: 94108-27-7
CAS Name: dodecanoic acid 2-[1-(1-oxododecoxy)propan-2-yloxy]propyl ester
OPENEYE Name: 2-(2-dodecanoyloxy-1-methyl-ethoxy)propyl dodecanoate
IUPAC Name: 2-(1-dodecanoyloxypropan-2-yloxy)propyl dodecanoate
SYSTEMATIC NAME: 2-(1-dodecanoyloxypropan-2-yloxy)propyl dodecanoate
MOLECULAR FORMULA: C30H58O5
MOLECULAR WEIGHT: 498.77852
SMILES: CCCCCCCCCCCC(=O)OCC(C)OC(C)COC(=O)CCCCCCCCCCC
CAS RN: 94333-49-0
CAS Name: nonanedioic acid bis[2-[N-ethyl-4-(4-nitrophenyl)azoanilino]ethyl] ester
OPENEYE Name: bis[2-[N-ethyl-4-(4-nitrophenyl)azo-anilino]ethyl] nonanedioate
IUPAC Name: bis[2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl] nonanedioate
SYSTEMATIC NAME: bis[2-[ethyl-[4-[(4-nitrophenyl)diazenyl]phenyl]amino]ethyl] nonanedioate
MOLECULAR FORMULA: C41H48N8O8
MOLECULAR WEIGHT: 780.86862
SMILES: CCN(CCOC(=O)CCCCCCCC(=O)OCCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)N=NC4=CC=C(C=C4)[N+](=O)[O-]
CAS RN: 97171-89-6
CAS Name: [9-(2-carboxyphenyl)-6-(diethylamino)-3-xanthenylidene]-diethylammonium; hydroxy-oxido-dioxotungsten
OPENEYE Name: [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium; hydroxy-oxido-dioxo-tungsten
IUPAC Name: [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium; hydroxy-oxido-dioxotungsten
SYSTEMATIC NAME: [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium; oxidanidyl-oxidanyl-bis(oxidanylidene)tungsten
MOLECULAR FORMULA: C28H32N2O7W
MOLECULAR WEIGHT: 692.40288
SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.O[W](=O)(=O)[O-]
CAS RN: 110152-60-8
CAS Name: 4-dodecylbenzenesulfonic acid; 4-phenyldiazenylbenzene-1,3-diamine
OPENEYE Name: 4-dodecylbenzenesulfonic acid; 4-phenylazobenzene-1,3-diamine
IUPAC Name: 4-dodecylbenzenesulfonic acid; 4-phenyldiazenylbenzene-1,3-diamine
SYSTEMATIC NAME: 4-dodecylbenzenesulfonic acid; 4-phenyldiazenylbenzene-1,3-diamine
MOLECULAR FORMULA: C30H42N4O3S
MOLECULAR WEIGHT: 538.74448
SMILES: CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)N)N
CAS RN: 199277-63-9
CAS Name: benzoic acid [(Z,7R)-18-hexadecoxy-18-oxooctadec-9-en-7-yl] ester
OPENEYE Name: [(Z,1R)-12-hexadecoxy-1-hexyl-12-oxo-dodec-3-enyl] benzoate
IUPAC Name: [(Z,7R)-18-hexadecoxy-18-oxooctadec-9-en-7-yl] benzoate
SYSTEMATIC NAME: [(Z,7R)-18-hexadecoxy-18-oxidanylidene-octadec-9-en-7-yl] benzoate
MOLECULAR FORMULA: C41H70O4
MOLECULAR WEIGHT: 626.9921
SMILES: CCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\C[C@@H](CCCCCC)OC(=O)C1=CC=CC=C1
CAS RN: 94071-25-7
CAS Name: [2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl]-trimethylammonium acetate
OPENEYE Name: [2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl]-trimethyl-ammonium acetate
IUPAC Name: [2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl]-trimethylazanium acetate
SYSTEMATIC NAME: trimethyl-[3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2-oxidanyl-propyl]azanium ethanoate
MOLECULAR FORMULA: C18H45NO6Si3
MOLECULAR WEIGHT: 455.8095
SMILES: CC(=O)[O-].C[N+](C)(C)CC(COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)O
CAS RN: 16962-29-1
CAS Name: potassium hexafluoroiridium(2-)
OPENEYE Name: potassium hexafluoroiridium(2-)
IUPAC Name: potassium hexafluoroiridium(2-)
SYSTEMATIC NAME: potassium hexakis(fluoranyl)iridium(2-)
MOLECULAR FORMULA: F6IrK-
MOLECULAR WEIGHT: 345.305719
SMILES: F[Ir-2](F)(F)(F)(F)F.[K+]
CAS RN: 85068-60-6
CAS Name: diammonium disodium 2-[(2Z)-2-[5-carbamoyl-4-methyl-2,6-dioxo-1-[2-(4-sulfonatophenyl)ethyl]-3-pyridinylidene]hydrazinyl]-5-(3-phosphonatophenyl)azobenzenesulfonate
OPENEYE Name: diammonium disodium 2-[(2Z)-2-[5-carbamoyl-4-methyl-2,6-dioxo-1-[2-(4-sulfonatophenyl)ethyl]-3-pyridylidene]hydrazino]-5-(3-phosphonatophenyl)azo-benzenesulfonate
IUPAC Name: diazanium disodium 2-[(2Z)-2-[5-carbamoyl-4-methyl-2,6-dioxo-1-[2-(4-sulfonatophenyl)ethyl]pyridin-3-ylidene]hydrazinyl]-5-[(3-phosphonatophenyl)diazenyl]benzenesulfonate
SYSTEMATIC NAME: diazanium disodium 2-[(2Z)-2-[5-aminocarbonyl-4-methyl-2,6-bis(oxidanylidene)-1-[2-(4-sulfonatophenyl)ethyl]pyridin-3-ylidene]hydrazinyl]-5-[(3-phosphonatophenyl)diazenyl]benzenesulfonate
MOLECULAR FORMULA: C27H29N8Na2O12PS2
MOLECULAR WEIGHT: 798.648861
SMILES: CC\1=C(C(=O)N(C(=O)/C1=N\NC2=C(C=C(C=C2)N=NC3=CC(=CC=C3)P(=O)([O-])[O-])S(=O)(=O)[O-])CCC4=CC=C(C=C4)S(=O)(=O)[O-])C(=O)N.[NH4+].[NH4+].[Na+].[Na+]
CAS RN: 129420-90-2
CAS Name: 2-(2-hydroxyethylamino)ethanol; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-[[4-[2-[4-(2-oxiranylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
OPENEYE Name: 2-(2-hydroxyethylamino)ethanol; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; 2-[[4-[1-methyl-1-[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
IUPAC Name: 2-(2-hydroxyethylamino)ethanol; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
SYSTEMATIC NAME: 2-(2-hydroxyethylamino)ethanol; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
MOLECULAR FORMULA: C40H51NO8
MOLECULAR WEIGHT: 673.83484
SMILES: CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4.C(CO)NCCO
CAS RN: 133986-49-9
CAS Name: sodium 2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate
OPENEYE Name: sodium 2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate
IUPAC Name: sodium 2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate
SYSTEMATIC NAME: sodium 2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate
MOLECULAR FORMULA: C26H54NaO9P
MOLECULAR WEIGHT: 564.665091
SMILES: CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOP(=O)(O)[O-].[Na+]
CAS RN: 71463-38-2
CAS Name: calcium 3-(1,3-dioxobutylamino)benzenesulfonate
OPENEYE Name: calcium 3-(3-oxobutanoylamino)benzenesulfonate
IUPAC Name: calcium 3-(3-oxobutanoylamino)benzenesulfonate
SYSTEMATIC NAME: calcium 3-(3-oxidanylidenebutanoylamino)benzenesulfonate
MOLECULAR FORMULA: C20H20CaN2O10S2
MOLECULAR WEIGHT: 552.5882
SMILES: CC(=O)CC(=O)NC1=CC(=CC=C1)S(=O)(=O)[O-].CC(=O)CC(=O)NC1=CC(=CC=C1)S(=O)(=O)[O-].[Ca+2]
CAS RN: 100021-79-2
CAS Name: ethane-1,2-diamine; hexadecanoic acid
OPENEYE Name: ethane-1,2-diamine; palmitic acid
IUPAC Name: ethane-1,2-diamine; hexadecanoic acid
SYSTEMATIC NAME: ethane-1,2-diamine; hexadecanoic acid
MOLECULAR FORMULA: C18H40N2O2
MOLECULAR WEIGHT: 316.5224
SMILES: CCCCCCCCCCCCCCCC(=O)O.C(CN)N
CAS RN: 97158-28-6
CAS Name: 2-methyl-6-[(1R,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]-1-cyclohexanone
OPENEYE Name: 2-methyl-6-[(1S,2R,4R)-1,7,7-trimethylnorbornan-2-yl]cyclohexanone
IUPAC Name: 2-methyl-6-[(1R,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]cyclohexan-1-one
SYSTEMATIC NAME: 2-methyl-6-[(1R,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]cyclohexan-1-one
MOLECULAR FORMULA: C17H28O
MOLECULAR WEIGHT: 248.40362
SMILES: CC1CCCC(C1=O)[C@H]2C[C@H]3CC[C@@]2(C3(C)C)C
CAS RN: 94087-79-3
CAS Name: bis(3-triethoxysilylpropylthio)methanethione
OPENEYE Name: bis(3-triethoxysilylpropylsulfanyl)methanethione
IUPAC Name: bis(3-triethoxysilylpropylsulfanyl)methanethione
SYSTEMATIC NAME: bis(3-triethoxysilylpropylsulfanyl)methanethione
MOLECULAR FORMULA: C19H42O6S3Si2
MOLECULAR WEIGHT: 518.89918
SMILES: CCO[Si](CCCSC(=S)SCCC[Si](OCC)(OCC)OCC)(OCC)OCC
CAS RN: 83006-74-0
CAS Name: ammonium sodium 8-anilino-5-[[4-[(5-sulfonato-1-naphthalenyl)azo]-1-naphthalenyl]azo]-1-naphthalenesulfonate
OPENEYE Name: ammonium sodium 8-anilino-5-[[4-[(5-sulfonato-1-naphthyl)azo]-1-naphthyl]azo]naphthalene-1-sulfonate
IUPAC Name: azanium sodium 8-anilino-5-[[4-[(5-sulfonatonaphthalen-1-yl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonate
SYSTEMATIC NAME: azanium sodium 8-phenylazanyl-5-[[4-[(5-sulfonatonaphthalen-1-yl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonate
MOLECULAR FORMULA: C36H27N6NaO6S2
MOLECULAR WEIGHT: 726.75595
SMILES: C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=CC=C(C5=CC=CC=C54)N=NC6=CC=CC7=C6C=CC=C7S(=O)(=O)[O-])C=CC=C3S(=O)(=O)[O-].[NH4+].[Na+]
CAS RN: 72361-43-4
CAS Name: 4-methylbenzenesulfonic acid; 2-(4-morpholinyl)ethanethiol
OPENEYE Name: 4-methylbenzenesulfonic acid; 2-morpholinoethanethiol
IUPAC Name: 4-methylbenzenesulfonic acid; 2-morpholin-4-ylethanethiol
SYSTEMATIC NAME: 4-methylbenzenesulfonic acid; 2-morpholin-4-ylethanethiol
MOLECULAR FORMULA: C13H21NO4S2
MOLECULAR WEIGHT: 319.44014
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1COCCN1CCS
CAS RN: 154505-57-4
CAS Name: 1-[3-(5-nitro-2-thiophenyl)-1-diazirinyl]imidazole
OPENEYE Name: 1-[3-(5-nitro-2-thienyl)diazirin-1-yl]imidazole
IUPAC Name: 1-[3-(5-nitrothiophen-2-yl)diazirin-1-yl]imidazole
SYSTEMATIC NAME: 1-[3-(5-nitrothiophen-2-yl)-1,2-diazirin-1-yl]imidazole
MOLECULAR FORMULA: C8H5N5O2S
MOLECULAR WEIGHT: 235.2226
SMILES: C1=CN(C=N1)N2C(=N2)C3=CC=C(S3)[N+](=O)[O-]
CAS RN: 71720-62-2
CAS Name: disodium 5-ethyl-6-oxo-5H-pyrimidine-2,4-diolate
OPENEYE Name: disodium 5-ethyl-6-oxo-5H-pyrimidine-2,4-diolate
IUPAC Name: disodium 5-ethyl-6-oxo-5H-pyrimidine-2,4-diolate
SYSTEMATIC NAME: disodium 5-ethyl-6-oxidanylidene-5H-pyrimidine-2,4-diolate
MOLECULAR FORMULA: C6H6N2Na2O3
MOLECULAR WEIGHT: 200.10298
SMILES: CCC1C(=NC(=NC1=O)[O-])[O-].[Na+].[Na+]
CAS RN: 84030-42-2
CAS Name: 2-[[[(2-decoxy-2-oxoethyl)thio]-didodecylstannyl]thio]acetic acid decyl ester
OPENEYE Name: decyl 2-[(2-decoxy-2-oxo-ethyl)sulfanyl-didodecyl-stannyl]sulfanylacetate
IUPAC Name: decyl 2-[(2-decoxy-2-oxoethyl)sulfanyl-didodecylstannyl]sulfanylacetate
SYSTEMATIC NAME: decyl 2-[(2-decoxy-2-oxidanylidene-ethyl)sulfanyl-didodecyl-stannyl]sulfanylethanoate
MOLECULAR FORMULA: C48H96O4S2Sn
MOLECULAR WEIGHT: 920.11344
SMILES: CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(SCC(=O)OCCCCCCCCCC)SCC(=O)OCCCCCCCCCC
CAS RN: 84012-51-1
CAS Name: 3-[N-ethyl-3-methyl-4-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]anilino]propanenitrile acetate
OPENEYE Name: 3-[N-ethyl-3-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]anilino]propanenitrile acetate
IUPAC Name: 3-[N-ethyl-3-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile acetate
SYSTEMATIC NAME: 3-[ethyl-[3-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]phenyl]amino]propanenitrile ethanoate
MOLECULAR FORMULA: C27H33N3O2
MOLECULAR WEIGHT: 431.56982
SMILES: CCN(CCC#N)C1=CC(=C(C=C1)/C=C/C2=[N+](C3=CC=CC=C3C2(C)C)C)C.CC(=O)[O-]
CAS RN: 70285-70-0
CAS Name: potassium (2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-3-oxolanolate
OPENEYE Name: potassium (2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-olate
IUPAC Name: potassium (2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-olate
SYSTEMATIC NAME: potassium (2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-olate
MOLECULAR FORMULA: C10H14KN5O10P2
MOLECULAR WEIGHT: 465.291482
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)[O-])O.[K+]
CAS RN: 26841-87-2
CAS Name: magnesium azanidylidenemethylideneazanide
OPENEYE Name: magnesium azanidylidenemethyleneazanide
IUPAC Name: magnesium azanidylidenemethylideneazanide
SYSTEMATIC NAME: magnesium azanidylidenemethylideneazanide
MOLECULAR FORMULA: CMgN2
MOLECULAR WEIGHT: 64.3291
SMILES: C(=[N-])=[N-].[Mg+2]
CAS RN: 156639-36-0
CAS Name: (E)-2-butenedioic acid; 1-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5-(propoxymethyl)phenyl]ethanone
OPENEYE Name: fumaric acid; 1-[2-[2-hydroxy-3-(isopropylamino)propoxy]-5-(propoxymethyl)phenyl]ethanone
IUPAC Name: (E)-but-2-enedioic acid; 1-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5-(propoxymethyl)phenyl]ethanone
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-5-(propoxymethyl)phenyl]ethanone
MOLECULAR FORMULA: C22H33NO8
MOLECULAR WEIGHT: 439.49932
SMILES: CCCOCC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C.C(=C/C(=O)O)\C(=O)O
CAS RN: 97659-31-9
CAS Name: 2-methyl-2-undecanamine; octanoic acid
OPENEYE Name: 2-methylundecan-2-amine; octanoic acid
IUPAC Name: 2-methylundecan-2-amine; octanoic acid
SYSTEMATIC NAME: 2-methylundecan-2-amine; octanoic acid
MOLECULAR FORMULA: C20H43NO2
MOLECULAR WEIGHT: 329.56092
SMILES: CCCCCCCCCC(C)(C)N.CCCCCCCC(=O)O
CAS RN: 92888-19-2
CAS Name: (7Z)-7-[(4-chlorophenyl)hydrazinylidene]-1,2-dimethyl-6-indazol-2-iumone chloride
OPENEYE Name: (7Z)-7-[(4-chlorophenyl)hydrazono]-1,2-dimethyl-indazol-2-ium-6-one chloride
IUPAC Name: (7Z)-7-[(4-chlorophenyl)hydrazinylidene]-1,2-dimethylindazol-2-ium-6-one chloride
SYSTEMATIC NAME: (7Z)-7-[(4-chlorophenyl)hydrazinylidene]-1,2-dimethyl-indazol-2-ium-6-one chloride
MOLECULAR FORMULA: C15H14Cl2N4O
MOLECULAR WEIGHT: 337.20386
SMILES: CN1C\2=C(C=CC(=O)/C2=N\NC3=CC=C(C=C3)Cl)C=[N+]1C.[Cl-]
CAS RN: 84030-53-5
CAS Name: 4-[[4-(dimethylamino)phenyl]-iminomethyl]-N,N-dimethylaniline; sulfuric acid decyl ester
OPENEYE Name: decyl hydrogen sulfate; 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethyl-aniline
IUPAC Name: decyl hydrogen sulfate; 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline
SYSTEMATIC NAME: decyl hydrogen sulfate; 4-[C-[4-(dimethylamino)phenyl]carbonimidoyl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C27H43N3O4S
MOLECULAR WEIGHT: 505.71302
SMILES: CCCCCCCCCCOS(=O)(=O)O.CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C
CAS RN: 93858-05-0
CAS Name: N-(4-acetamido-3-nitro-9,10-dioxo-1-anthracenyl)acetamide
OPENEYE Name: N-(4-acetamido-3-nitro-9,10-dioxo-1-anthryl)acetamide
IUPAC Name: N-(4-acetamido-3-nitro-9,10-dioxoanthracen-1-yl)acetamide
SYSTEMATIC NAME: N-[4-acetamido-3-nitro-9,10-bis(oxidanylidene)anthracen-1-yl]ethanamide
MOLECULAR FORMULA: C18H13N3O6
MOLECULAR WEIGHT: 367.31232
SMILES: CC(=O)NC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)NC(=O)C)[N+](=O)[O-]
CAS RN: 94248-58-5
CAS Name: 2-bromoacetic acid [(2S,3R,4R,5R)-2,3,4-tris(2-bromo-1-oxoethoxy)-5,6-dihydroxyhexyl] ester
OPENEYE Name: [(2S,3R,4R,5R)-2,3,4-tris[(2-bromoacetyl)oxy]-5,6-dihydroxy-hexyl] 2-bromoacetate
IUPAC Name: [(2S,3R,4R,5R)-2,3,4-tris[(2-bromoacetyl)oxy]-5,6-dihydroxyhexyl] 2-bromoacetate
SYSTEMATIC NAME: [(2S,3R,4R,5R)-2,3,4-tris(2-bromanylethanoyloxy)-5,6-bis(oxidanyl)hexyl] 2-bromanylethanoate
MOLECULAR FORMULA: C14H18Br4O10
MOLECULAR WEIGHT: 665.90272
SMILES: C([C@H]([C@H]([C@@H]([C@H](COC(=O)CBr)OC(=O)CBr)OC(=O)CBr)OC(=O)CBr)O)O
CAS RN: 94139-11-4
CAS Name: acetic acid [2-(ethylamino)ethyl-[(9E,12E)-1-oxooctadeca-9,12-dienyl]amino] ester
OPENEYE Name: [2-(ethylamino)ethyl-[(9E,12E)-octadeca-9,12-dienoyl]amino] acetate
IUPAC Name: [2-(ethylamino)ethyl-[(9E,12E)-octadeca-9,12-dienoyl]amino] acetate
SYSTEMATIC NAME: [2-(ethylamino)ethyl-[(9E,12E)-octadeca-9,12-dienoyl]amino] ethanoate
MOLECULAR FORMULA: C24H44N2O3
MOLECULAR WEIGHT: 408.61776
SMILES: CCCCC/C=C/C/C=C/CCCCCCCC(=O)N(CCNCC)OC(=O)C
CAS RN: 84029-64-1
CAS Name: 2-butenedioic acid O4-[didodecyl-[4-(6-methylheptoxy)-1,4-dioxobut-2-enoxy]stannyl] ester O1-(6-methylheptyl) ester
OPENEYE Name: O4-[didodecyl-[4-(6-methylheptoxy)-4-oxo-but-2-enoyl]oxy-stannyl] O1-(6-methylheptyl) but-2-enedioate
IUPAC Name: 4-O-[didodecyl-[4-(6-methylheptoxy)-4-oxobut-2-enoyl]oxystannyl] 1-O-(6-methylheptyl) but-2-enedioate
SYSTEMATIC NAME: O4-[didodecyl-[4-(6-methylheptoxy)-4-oxidanylidene-but-2-enoyl]oxy-stannyl] O1-(6-methylheptyl) but-2-enedioate
MOLECULAR FORMULA: C48H88O8Sn
MOLECULAR WEIGHT: 911.91752
SMILES: CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCC(C)C)OC(=O)C=CC(=O)OCCCCCC(C)C
CAS RN: 19692-13-8
CAS Name: 2-[[2-(diethoxyphosphinothio)-1-oxoethyl]amino]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[(2-diethoxyphosphanylsulfanylacetyl)amino]acetate
IUPAC Name: ethyl 2-[(2-diethoxyphosphanylsulfanylacetyl)amino]acetate
SYSTEMATIC NAME: ethyl 2-(2-diethoxyphosphanylsulfanylethanoylamino)ethanoate
MOLECULAR FORMULA: C10H20NO5PS
MOLECULAR WEIGHT: 297.308261
SMILES: CCOC(=O)CNC(=O)CSP(OCC)OCC
CAS RN: 103580-64-9
CAS Name: disodium (6Z)-4-amino-3-[4-[4-[2-amino-4-[(3-butoxy-2-hydroxypropyl)amino]phenyl]azo-3-methylphenyl]-2-methylphenyl]azo-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate
OPENEYE Name: disodium (6Z)-4-amino-3-[4-[4-[2-amino-4-[(3-butoxy-2-hydroxy-propyl)amino]phenyl]azo-3-methyl-phenyl]-2-methyl-phenyl]azo-5-oxo-6-(phenylhydrazono)naphthalene-2,7-disulfonate
IUPAC Name: disodium (6Z)-4-amino-3-[[4-[4-[[2-amino-4-[(3-butoxy-2-hydroxypropyl)amino]phenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate
SYSTEMATIC NAME: disodium (6Z)-4-azanyl-3-[[4-[4-[[2-azanyl-4-[(3-butoxy-2-oxidanyl-propyl)amino]phenyl]diazenyl]-3-methyl-phenyl]-2-methyl-phenyl]diazenyl]-5-oxidanylidene-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C43H43N9Na2O9S2
MOLECULAR WEIGHT: 939.96596
SMILES: CCCCOCC(CNC1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC4=C(C=C5C=C(/C(=N\NC6=CC=CC=C6)/C(=O)C5=C4N)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C)N)O.[Na+].[Na+]
CAS RN: 93966-66-6
CAS Name: benzoic acid [(2R,3S,5R)-5-(6-benzamido-9-purinyl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-oxolanyl] ester
OPENEYE Name: [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-yl] benzoate
IUPAC Name: [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl] benzoate
SYSTEMATIC NAME: [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]oxolan-3-yl] benzoate
MOLECULAR FORMULA: C45H39N5O7
MOLECULAR WEIGHT: 761.82046
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=NC6=C5N=CN=C6NC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8
CAS RN: 94109-42-9
CAS Name: tetrasodium (3Z)-5-[[[3-(2-chloroethylsulfonyl)anilino]-oxomethyl]amino]-3-[(1,5-disulfonato-2-naphthalenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate
OPENEYE Name: tetrasodium (3Z)-5-[[3-(2-chloroethylsulfonyl)phenyl]carbamoylamino]-3-[(1,5-disulfonato-2-naphthyl)hydrazono]-4-oxo-naphthalene-2,7-disulfonate
IUPAC Name: tetrasodium (3Z)-5-[[3-(2-chloroethylsulfonyl)phenyl]carbamoylamino]-3-[(1,5-disulfonatonaphthalen-2-yl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate
SYSTEMATIC NAME: tetrasodium (3Z)-5-[[3-(2-chloroethylsulfonyl)phenyl]carbamoylamino]-3-[(1,5-disulfonatonaphthalen-2-yl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C29H19ClN4Na4O16S5
MOLECULAR WEIGHT: 967.21544
SMILES: C1=CC(=CC(=C1)S(=O)(=O)CCCl)NC(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(/C(=N\NC4=C(C5=C(C=C4)C(=CC=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])/C3=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
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