CAS RN: 84864-59-5
CAS Name: diammonium (2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
OPENEYE Name: diammonium (2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
IUPAC Name: diazanium (2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
SYSTEMATIC NAME: diazanium (2S,3S,4S,5R)-2,3,4,5-tetrakis(oxidanyl)hexanedioate
MOLECULAR FORMULA: C6H16N2O8
MOLECULAR WEIGHT: 244.19984
SMILES: [C@H]([C@@H]([C@@H](C(=O)[O-])O)O)([C@H](C(=O)[O-])O)O.[NH4+].[NH4+]
CAS RN: 94158-78-8
CAS Name: trisodium (3Z)-5-[[4-chloro-6-(4-ethenylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate
OPENEYE Name: trisodium (3Z)-5-[[4-chloro-6-(4-vinylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(2-sulfonatophenyl)hydrazono]naphthalene-2,7-disulfonate
IUPAC Name: trisodium (3Z)-5-[[4-chloro-6-(4-ethenylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate
SYSTEMATIC NAME: trisodium (3Z)-5-[[4-chloranyl-6-[(4-ethenylsulfonylphenyl)amino]-1,3,5-triazin-2-yl]amino]-4-oxidanylidene-3-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C27H17ClN7Na3O12S4
MOLECULAR WEIGHT: 864.14589
SMILES: C=CS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(/C(=N\NC5=CC=CC=C5S(=O)(=O)[O-])/C4=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
CAS RN: 71463-35-9
CAS Name: 2-[acetyl(fluoro)amino]-3-phenylpropanoic acid
OPENEYE Name: 2-[acetyl(fluoro)amino]-3-phenyl-propanoic acid
IUPAC Name: 2-[acetyl(fluoro)amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: 2-[ethanoyl(fluoranyl)amino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C11H12FNO3
MOLECULAR WEIGHT: 225.216283
SMILES: CC(=O)N(C(CC1=CC=CC=C1)C(=O)O)F
CAS RN: 99688-42-3
CAS Name: bis[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl] hydrogen phosphate; morpholine
OPENEYE Name: bis[2-[2-[2-[2-(2-benzyloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl] hydrogen phosphate; morpholine
IUPAC Name: bis[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl] hydrogen phosphate; morpholine
SYSTEMATIC NAME: bis[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl] hydrogen phosphate; morpholine
MOLECULAR FORMULA: C38H64NO15P
MOLECULAR WEIGHT: 805.886221
SMILES: C1COCCN1.C1=CC=C(C=C1)COCCOCCOCCOCCOCCOP(=O)(O)OCCOCCOCCOCCOCCOCC2=CC=CC=C2
CAS RN: 6391-23-7
CAS Name: disodium 4-[4-[[[4-[(2Z)-2-[6-[[(4-aminophenyl)-oxomethyl]amino]-1-oxo-3-sulfonato-2-naphthalenylidene]hydrazinyl]phenyl]-oxomethyl]amino]phenyl]azo-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate
OPENEYE Name: disodium 4-[4-[[4-[(2Z)-2-[6-[(4-aminobenzoyl)amino]-1-oxo-3-sulfonato-2-naphthylidene]hydrazino]benzoyl]amino]phenyl]azo-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate
IUPAC Name: disodium 4-[[4-[[4-[(2Z)-2-[6-[(4-aminobenzoyl)amino]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]benzoyl]amino]phenyl]diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate
SYSTEMATIC NAME: disodium 4-[[4-[[4-[(2Z)-2-[6-[(4-aminophenyl)carbonylamino]-1-oxidanylidene-3-sulfonato-naphthalen-2-ylidene]hydrazinyl]phenyl]carbonylamino]phenyl]diazenyl]-5-oxidanylidene-1-phenyl-4H-pyrazole-3-carboxylate
MOLECULAR FORMULA: C40H27N9Na2O9S
MOLECULAR WEIGHT: 855.74182
SMILES: C1=CC=C(C=C1)N2C(=O)C(C(=N2)C(=O)[O-])N=NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)N/N=C/5\C(=CC6=C(C5=O)C=CC(=C6)NC(=O)C7=CC=C(C=C7)N)S(=O)(=O)[O-].[Na+].[Na+]
CAS RN: 85237-80-5
CAS Name: (E)-2-[(E)-2-ethyl-6-(2-ethylhexoxy)-2-[[(E)-4-(2-ethylhexoxy)-1,4-dioxobut-2-enoxy]methyl]-4-[2-ethylhexoxy(oxo)methyl]-6-oxohex-4-enyl]-2-butenedioic acid
OPENEYE Name: (E)-2-[(E)-2-ethyl-6-(2-ethylhexoxy)-4-(2-ethylhexoxycarbonyl)-2-[[(E)-4-(2-ethylhexoxy)-4-oxo-but-2-enoyl]oxymethyl]-6-oxo-hex-4-enyl]but-2-enedioic acid
IUPAC Name: (E)-2-[(E)-2-ethyl-6-(2-ethylhexoxy)-4-(2-ethylhexoxycarbonyl)-2-[[(E)-4-(2-ethylhexoxy)-4-oxobut-2-enoyl]oxymethyl]-6-oxohex-4-enyl]but-2-enedioic acid
SYSTEMATIC NAME: (E)-2-[(E)-2-ethyl-6-(2-ethylhexoxy)-4-(2-ethylhexoxycarbonyl)-2-[[(E)-4-(2-ethylhexoxy)-4-oxidanylidene-but-2-enoyl]oxymethyl]-6-oxidanylidene-hex-4-enyl]but-2-enedioic acid
MOLECULAR FORMULA: C42H68O12
MOLECULAR WEIGHT: 764.98212
SMILES: CCCCC(CC)COC(=O)/C=C/C(=O)OCC(CC)(C/C(=C\C(=O)O)/C(=O)O)C/C(=C\C(=O)OCC(CC)CCCC)/C(=O)OCC(CC)CCCC
CAS RN: 12673-58-4
CAS Name: molybdenum; nickel(2+); oxygen(2-)
OPENEYE Name: nickelous; molybdenum; oxygen(2-)
IUPAC Name: molybdenum; nickel(2+); oxygen(2-)
SYSTEMATIC NAME: molybdenum; nickel(2+); oxygen(2-)
MOLECULAR FORMULA: MoNiO4-6
MOLECULAR WEIGHT: 218.631
SMILES: [O-2].[O-2].[O-2].[O-2].[Ni+2].[Mo]
CAS RN: 153067-81-3
CAS Name: molybdenum; nickel(2+); oxygen(2-)
OPENEYE Name: nickelous; molybdenum; oxygen(2-)
IUPAC Name: molybdenum; nickel(2+); oxygen(2-)
SYSTEMATIC NAME: molybdenum; nickel(2+); oxygen(2-)
MOLECULAR FORMULA: MoNiO4-6
MOLECULAR WEIGHT: 218.631
SMILES: [O-2].[O-2].[O-2].[O-2].[Ni+2].[Mo]
CAS RN: 53027-18-2
CAS Name: molybdenum; nickel(2+); oxygen(2-)
OPENEYE Name: nickelous; molybdenum; oxygen(2-)
IUPAC Name: molybdenum; nickel(2+); oxygen(2-)
SYSTEMATIC NAME: molybdenum; nickel(2+); oxygen(2-)
MOLECULAR FORMULA: MoNiO4-6
MOLECULAR WEIGHT: 218.631
SMILES: [O-2].[O-2].[O-2].[O-2].[Ni+2].[Mo]
CAS RN: 83763-10-4
CAS Name: (2Z)-2-[chloro-(4-methoxyphenyl)methylidene]butanal
OPENEYE Name: (2Z)-2-[chloro-(4-methoxyphenyl)methylene]butanal
IUPAC Name: (2Z)-2-[chloro-(4-methoxyphenyl)methylidene]butanal
SYSTEMATIC NAME: (2Z)-2-[chloranyl-(4-methoxyphenyl)methylidene]butanal
MOLECULAR FORMULA: C12H13ClO2
MOLECULAR WEIGHT: 224.68342
SMILES: CC/C(=C(\C1=CC=C(C=C1)OC)/Cl)/C=O
CAS RN: 68006-79-1
CAS Name: (2Z)-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-methyl-1,3-benzoxazole iodide
OPENEYE Name: (2Z)-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-methyl-1,3-benzoxazole iodide
IUPAC Name: (2Z)-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-methyl-1,3-benzoxazole iodide
SYSTEMATIC NAME: (2Z)-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-methyl-1,3-benzoxazole iodide
MOLECULAR FORMULA: C20H19IN2OS
MOLECULAR WEIGHT: 462.34713
SMILES: CC[N+]1=C(SC2=CC=CC=C21)/C=C/C=C\3/N(C4=CC=CC=C4O3)C.[I-]
CAS RN: 98420-26-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C111H194N28O25
MOLECULAR WEIGHT: 2320.90066
SMILES: CC(C)C[C@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)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](CCC(=O)N)C(=O)N[C@H](CCCCN)C(=O)N
CAS RN: 94087-49-7
CAS Name: disodium [2-ethylhexyl(phosphonatomethyl)amino]methylphosphonic acid
OPENEYE Name: disodium [2-ethylhexyl(phosphonatomethyl)amino]methylphosphonic acid
IUPAC Name: disodium [2-ethylhexyl(phosphonatomethyl)amino]methylphosphonic acid
SYSTEMATIC NAME: disodium [2-ethylhexyl(phosphonatomethyl)amino]methylphosphonic acid
MOLECULAR FORMULA: C10H23NNa2O6P2
MOLECULAR WEIGHT: 361.219782
SMILES: CCCCC(CC)CN(CP(=O)(O)O)CP(=O)([O-])[O-].[Na+].[Na+]
CAS RN: 94231-34-2
CAS Name: 3-[3-(3-hydrazinyl-3-oxopropyl)-2,5-dioxo-4-propan-2-yl-1-imidazolidinyl]-2-methylpropanehydrazide
OPENEYE Name: 3-[3-(3-hydrazino-3-oxo-propyl)-4-isopropyl-2,5-dioxo-imidazolidin-1-yl]-2-methyl-propanehydrazide
IUPAC Name: 3-[3-(3-hydrazinyl-3-oxopropyl)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-2-methylpropanehydrazide
SYSTEMATIC NAME: 3-[3-(3-diazanyl-3-oxidanylidene-propyl)-2,5-bis(oxidanylidene)-4-propan-2-yl-imidazolidin-1-yl]-2-methyl-propanehydrazide
MOLECULAR FORMULA: C13H24N6O4
MOLECULAR WEIGHT: 328.36746
SMILES: CC(C)C1C(=O)N(C(=O)N1CCC(=O)NN)CC(C)C(=O)NN
CAS RN: 97552-80-2
CAS Name: 2-(2-hydroxyethylamino)ethanol; 2-nitrodecanedioic acid
OPENEYE Name: 2-(2-hydroxyethylamino)ethanol; 2-nitrodecanedioic acid
IUPAC Name: 2-(2-hydroxyethylamino)ethanol; 2-nitrodecanedioic acid
SYSTEMATIC NAME: 2-(2-hydroxyethylamino)ethanol; 2-nitrodecanedioic acid
MOLECULAR FORMULA: C18H39N3O10
MOLECULAR WEIGHT: 457.51636
SMILES: C(CCCC(C(=O)O)[N+](=O)[O-])CCCC(=O)O.C(CO)NCCO.C(CO)NCCO
CAS RN: 93894-07-6
CAS Name: cadmium(2+); 2-nonylphenolate
OPENEYE Name: cadmium(2+); 2-nonylphenolate
IUPAC Name: cadmium(2+); 2-nonylphenolate
SYSTEMATIC NAME: cadmium(2+); 2-nonylphenolate
MOLECULAR FORMULA: C30H46CdO2
MOLECULAR WEIGHT: 551.09604
SMILES: CCCCCCCCCC1=CC=CC=C1[O-].CCCCCCCCCC1=CC=CC=C1[O-].[Cd+2]
CAS RN: 70942-02-8
CAS Name: sodium 3-[2-(2-nonyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoate
OPENEYE Name: sodium 3-[2-(2-nonyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoate
IUPAC Name: sodium 3-[2-(2-nonyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoate
SYSTEMATIC NAME: sodium 3-[2-(2-nonyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoate
MOLECULAR FORMULA: C17H31N2NaO3
MOLECULAR WEIGHT: 334.42941
SMILES: CCCCCCCCCC1=NCCN1CCOCCC(=O)[O-].[Na+]
CAS RN: 94442-03-2
CAS Name: octadecanoic acid 2-[[bis(3-butoxy-3-oxopropyl)-[2-(1-oxooctadecoxy)ethylthio]stannyl]thio]ethyl ester
OPENEYE Name: 2-[bis(3-butoxy-3-oxo-propyl)-(2-octadecanoyloxyethylsulfanyl)stannyl]sulfanylethyl octadecanoate
IUPAC Name: 2-[bis(3-butoxy-3-oxopropyl)-(2-octadecanoyloxyethylsulfanyl)stannyl]sulfanylethyl octadecanoate
SYSTEMATIC NAME: 2-[bis(3-butoxy-3-oxidanylidene-propyl)-(2-octadecanoyloxyethylsulfanyl)stannyl]sulfanylethyl octadecanoate
MOLECULAR FORMULA: C54H104O8S2Sn
MOLECULAR WEIGHT: 1064.23876
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCS[Sn](CCC(=O)OCCCC)(CCC(=O)OCCCC)SCCOC(=O)CCCCCCCCCCCCCCCCC
CAS RN: 13164-93-7
CAS Name: disodium (3E)-3-[[4-[4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]azo]phenyl]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylate
OPENEYE Name: disodium (3E)-3-[[4-[4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]azo]phenyl]phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylate
IUPAC Name: disodium (3E)-3-[[4-[4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate
SYSTEMATIC NAME: disodium (3E)-3-[[4-[4-[[3-methyl-5-oxidanylidene-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate
MOLECULAR FORMULA: C29H20N6Na2O7S
MOLECULAR WEIGHT: 642.54964
SMILES: CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C3=CC=C(C=C3)N/N=C/4\C=CC(=O)C(=C4)C(=O)[O-])C5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+]
CAS RN: 83949-96-6
CAS Name: N-methyl-4-phenyldiazenyl-N-[(E)-(1,3,3-trimethyl-2-indol-1-iumyl)methylideneamino]aniline sulfate
OPENEYE Name: N-methyl-4-phenylazo-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]aniline sulfate
IUPAC Name: N-methyl-4-phenyldiazenyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline sulfate
SYSTEMATIC NAME: N-methyl-4-phenyldiazenyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline sulfate
MOLECULAR FORMULA: C50H52N10O4S
MOLECULAR WEIGHT: 889.07748
SMILES: CC1(C(=[N+](C2=CC=CC=C12)C)/C=N/N(C3=CC=C(C=C3)N=NC4=CC=CC=C4)C)C.CC1(C(=[N+](C2=CC=CC=C12)C)/C=N/N(C3=CC=C(C=C3)N=NC4=CC=CC=C4)C)C.[O-]S(=O)(=O)[O-]
CAS RN: 84682-13-3
CAS Name: (Z)-3-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)-2-butenal
OPENEYE Name: (Z)-3-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)but-2-enal
IUPAC Name: (Z)-3-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)but-2-enal
SYSTEMATIC NAME: (Z)-3-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)but-2-enal
MOLECULAR FORMULA: C13H18O
MOLECULAR WEIGHT: 190.28142
SMILES: C/C(=C/C=O)/C1C2CC(C1(C)C)C=C2
CAS RN: 73423-35-5
CAS Name: 5-(aminomethyl)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-2-oxazolidinone
OPENEYE Name: 5-(aminomethyl)-3-[4-[(3-chlorophenyl)methoxy]phenyl]oxazolidin-2-one
IUPAC Name: 5-(aminomethyl)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-(aminomethyl)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C17H17ClN2O3
MOLECULAR WEIGHT: 332.78148
SMILES: C1C(OC(=O)N1C2=CC=C(C=C2)OCC3=CC(=CC=C3)Cl)CN
CAS RN: 84501-70-2
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 7,7-dimethyloctanoic acid
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 7,7-dimethyloctanoic acid
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 7,7-dimethyloctanoic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; 7,7-dimethyloctanoic acid
MOLECULAR FORMULA: C16H35NO5
MOLECULAR WEIGHT: 321.4528
SMILES: CC(C)(C)CCCCCC(=O)O.C(CO)N(CCO)CCO
CAS RN: 85030-06-4
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; decanedioic acid
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; decanedioic acid
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; decanedioic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; decanedioic acid
MOLECULAR FORMULA: C22H48N2O10
MOLECULAR WEIGHT: 500.62392
SMILES: C(CCCCC(=O)O)CCCC(=O)O.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO
CAS RN: 135108-89-3
CAS Name: benzene-1,3-dicarboxylic acid; furan-2,5-dione; 2-methylpropane-1,3-diol
OPENEYE Name: furan-2,5-dione; isophthalic acid; 2-methylpropane-1,3-diol
IUPAC Name: benzene-1,3-dicarboxylic acid; furan-2,5-dione; 2-methylpropane-1,3-diol
SYSTEMATIC NAME: benzene-1,3-dicarboxylic acid; furan-2,5-dione; 2-methylpropane-1,3-diol
MOLECULAR FORMULA: C16H18O9
MOLECULAR WEIGHT: 354.30872
SMILES: CC(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=O)OC1=O
CAS RN: 93859-05-3
CAS Name: 1,3-bis(6-isocyanatohexyl)-5-(3-isocyanato-4-methylphenyl)-1,3,5-triazinane-2,4,6-trione
OPENEYE Name: 1,3-bis(6-isocyanatohexyl)-5-(3-isocyanato-4-methyl-phenyl)-1,3,5-triazinane-2,4,6-trione
IUPAC Name: 1,3-bis(6-isocyanatohexyl)-5-(3-isocyanato-4-methylphenyl)-1,3,5-triazinane-2,4,6-trione
SYSTEMATIC NAME: 1,3-bis(6-isocyanatohexyl)-5-(3-isocyanato-4-methyl-phenyl)-1,3,5-triazinane-2,4,6-trione
MOLECULAR FORMULA: C25H30N6O6
MOLECULAR WEIGHT: 510.5423
SMILES: CC1=C(C=C(C=C1)N2C(=O)N(C(=O)N(C2=O)CCCCCCN=C=O)CCCCCCN=C=O)N=C=O
CAS RN: 97233-27-7
CAS Name: (2R)-2-(4-chloro-2-methylphenoxy)propanoic acid; N-ethylethanamine
OPENEYE Name: (2R)-2-(4-chloro-2-methyl-phenoxy)propanoic acid; N-ethylethanamine
IUPAC Name: (2R)-2-(4-chloro-2-methylphenoxy)propanoic acid; N-ethylethanamine
SYSTEMATIC NAME: (2R)-2-(4-chloranyl-2-methyl-phenoxy)propanoic acid; N-ethylethanamine
MOLECULAR FORMULA: C14H22ClNO3
MOLECULAR WEIGHT: 287.78238
SMILES: CCNCC.CC1=C(C=CC(=C1)Cl)O[C@H](C)C(=O)O
CAS RN: 94232-03-8
CAS Name: 3-amino-N-[2-[(3-amino-4-methoxyphenyl)sulfonylamino]ethyl]-4-methoxybenzenesulfonamide
OPENEYE Name: 3-amino-N-[2-[(3-amino-4-methoxy-phenyl)sulfonylamino]ethyl]-4-methoxy-benzenesulfonamide
IUPAC Name: 3-amino-N-[2-[(3-amino-4-methoxyphenyl)sulfonylamino]ethyl]-4-methoxybenzenesulfonamide
SYSTEMATIC NAME: 3-azanyl-N-[2-[(3-azanyl-4-methoxy-phenyl)sulfonylamino]ethyl]-4-methoxy-benzenesulfonamide
MOLECULAR FORMULA: C16H22N4O6S2
MOLECULAR WEIGHT: 430.49908
SMILES: COC1=C(C=C(C=C1)S(=O)(=O)NCCNS(=O)(=O)C2=CC(=C(C=C2)OC)N)N
CAS RN: 75196-34-8
CAS Name: 1-amino-2-propanol; 6-[(7-methyl-1-oxooctyl)amino]hexanoic acid
OPENEYE Name: 1-aminopropan-2-ol; 6-(7-methyloctanoylamino)hexanoic acid
IUPAC Name: 1-aminopropan-2-ol; 6-(7-methyloctanoylamino)hexanoic acid
SYSTEMATIC NAME: 1-azanylpropan-2-ol; 6-(7-methyloctanoylamino)hexanoic acid
MOLECULAR FORMULA: C18H38N2O4
MOLECULAR WEIGHT: 346.50532
SMILES: CC(C)CCCCCC(=O)NCCCCCC(=O)O.CC(CN)O
CAS RN: 83968-57-4
CAS Name: diammonium (3E)-7-benzamido-4-oxo-3-[[4-(4-sulfonatophenyl)azophenyl]hydrazinylidene]-2-naphthalenesulfonate
OPENEYE Name: diammonium (3E)-7-benzamido-4-oxo-3-[[4-(4-sulfonatophenyl)azophenyl]hydrazono]naphthalene-2-sulfonate
IUPAC Name: diazanium (3E)-7-benzamido-4-oxo-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonate
SYSTEMATIC NAME: diazanium (3E)-7-benzamido-4-oxidanylidene-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonate
MOLECULAR FORMULA: C29H27N7O8S2
MOLECULAR WEIGHT: 665.69678
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=O)/C(=N\NC4=CC=C(C=C4)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])/C(=C3)S(=O)(=O)[O-].[NH4+].[NH4+]
CAS RN: 18907-15-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H8Cl6O
MOLECULAR WEIGHT: 380.90932
SMILES: C1[C@H]2CC(=O)[C@@H]1[C@H]3[C@@H]2[C@@]4(C(=C([C@]3(C4(Cl)Cl)Cl)Cl)Cl)Cl
CAS RN: 98072-15-2
CAS Name: potassium [(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl phosphono phosphate
OPENEYE Name: potassium [(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono phosphate
IUPAC Name: potassium [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono phosphate
SYSTEMATIC NAME: potassium [(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono phosphate
MOLECULAR FORMULA: C9H14KN3O11P2
MOLECULAR WEIGHT: 441.266782
SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)O)O)O.[K+]
CAS RN: 94944-81-7
CAS Name: trisodium (3Z)-3-[[4-[4-[(2Z)-2-(6-anilino-1-oxo-3-sulfonato-2-naphthalenylidene)hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-4-oxonaphthalene-1,5-disulfonate
OPENEYE Name: trisodium (3Z)-3-[[4-[4-[(2Z)-2-(6-anilino-1-oxo-3-sulfonato-2-naphthylidene)hydrazino]-3-methoxy-phenyl]-2-methoxy-phenyl]hydrazono]-4-oxo-naphthalene-1,5-disulfonate
IUPAC Name: trisodium (3Z)-3-[[4-[4-[(2Z)-2-(6-anilino-1-oxo-3-sulfonatonaphthalen-2-ylidene)hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-4-oxonaphthalene-1,5-disulfonate
SYSTEMATIC NAME: trisodium (3Z)-3-[[2-methoxy-4-[3-methoxy-4-[(2Z)-2-(1-oxidanylidene-6-phenylazanyl-3-sulfonato-naphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-1,5-disulfonate
MOLECULAR FORMULA: C40H28N5Na3O13S3
MOLECULAR WEIGHT: 951.84033
SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N/N=C/3\C(=CC4=C(C3=O)C=CC(=C4)NC5=CC=CC=C5)S(=O)(=O)[O-])OC)N/N=C\6/C=C(C7=C(C6=O)C(=CC=C7)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
CAS RN: 94201-30-6
CAS Name: 2-methyl-4-(2,2,3-trimethylcyclopentyl)butanal
OPENEYE Name: 2-methyl-4-(2,2,3-trimethylcyclopentyl)butanal
IUPAC Name: 2-methyl-4-(2,2,3-trimethylcyclopentyl)butanal
SYSTEMATIC NAME: 2-methyl-4-(2,2,3-trimethylcyclopentyl)butanal
MOLECULAR FORMULA: C13H24O
MOLECULAR WEIGHT: 196.32906
SMILES: CC1CCC(C1(C)C)CCC(C)C=O
CAS RN: 83930-06-7
CAS Name: 5-[4-(dimethylamino)phenyl]azo-N,N,4-trimethyl-1,3,4-thiadiazol-4-ium-2-amine; trichlorozinc(1-)
OPENEYE Name: 5-[4-(dimethylamino)phenyl]azo-N,N,4-trimethyl-1,3,4-thiadiazol-4-ium-2-amine; trichlorozinc(1-)
IUPAC Name: 5-[[4-(dimethylamino)phenyl]diazenyl]-N,N,4-trimethyl-1,3,4-thiadiazol-4-ium-2-amine; trichlorozinc(1-)
SYSTEMATIC NAME: 5-[[4-(dimethylamino)phenyl]diazenyl]-N,N,4-trimethyl-1,3,4-thiadiazol-4-ium-2-amine; tris(chloranyl)zinc(1-)
MOLECULAR FORMULA: C13H19Cl3N6SZn
MOLECULAR WEIGHT: 463.16316
SMILES: C[N+]1=C(SC(=N1)N(C)C)N=NC2=CC=C(C=C2)N(C)C.Cl[Zn-](Cl)Cl
CAS RN: 84989-56-0
CAS Name: 5-[4-(dimethylamino)phenyl]azo-N,N,4-trimethyl-1,3,4-thiadiazol-4-ium-2-amine; trichlorozinc(1-)
OPENEYE Name: 5-[4-(dimethylamino)phenyl]azo-N,N,4-trimethyl-1,3,4-thiadiazol-4-ium-2-amine; trichlorozinc(1-)
IUPAC Name: 5-[[4-(dimethylamino)phenyl]diazenyl]-N,N,4-trimethyl-1,3,4-thiadiazol-4-ium-2-amine; trichlorozinc(1-)
SYSTEMATIC NAME: 5-[[4-(dimethylamino)phenyl]diazenyl]-N,N,4-trimethyl-1,3,4-thiadiazol-4-ium-2-amine; tris(chloranyl)zinc(1-)
MOLECULAR FORMULA: C13H19Cl3N6SZn
MOLECULAR WEIGHT: 463.16316
SMILES: C[N+]1=C(SC(=N1)N(C)C)N=NC2=CC=C(C=C2)N(C)C.Cl[Zn-](Cl)Cl
CAS RN: 168456-95-9
CAS Name: 1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-2-propanol; terephthalic acid
OPENEYE Name: 1-[4-[1-[4-(2-hydroxypropoxy)phenyl]-1-methyl-ethyl]phenoxy]propan-2-ol; terephthalic acid
IUPAC Name: 1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol; terephthalic acid
SYSTEMATIC NAME: 1-[4-[2-[4-(2-oxidanylpropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol; terephthalic acid
MOLECULAR FORMULA: C29H34O8
MOLECULAR WEIGHT: 510.57546
SMILES: CC(COC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCC(C)O)O.C1=CC(=CC=C1C(=O)O)C(=O)O
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