CAS RN: 7526-21-8
CAS Name: carbamimidic acid carbamimidoyl ester; nitric acid
OPENEYE Name: 2-carbamimidoylisourea; nitric acid
IUPAC Name: carbamimidoyl carbamimidate; nitric acid
SYSTEMATIC NAME: carbamimidoyl carbamimidate; nitric acid
MOLECULAR FORMULA: C2H7N5O4
MOLECULAR WEIGHT: 165.10808
SMILES: C(=N)(N)OC(=N)N.[N+](=O)(O)[O-]
CAS RN: 92908-55-9
CAS Name: 4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethyl-2-indol-1-iumyl)methylideneamino]aniline; 4-methylbenzenesulfonate
OPENEYE Name: 4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]aniline; 4-methylbenzenesulfonate
IUPAC Name: 4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline; 4-methylbenzenesulfonate
SYSTEMATIC NAME: 4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C27H31N3O4S
MOLECULAR WEIGHT: 493.61774
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1/C=N/N(C)C3=CC=C(C=C3)OC)C)C
CAS RN: 94108-25-5
CAS Name: butanoic acid [2,2-bis(hydroxymethyl)-3-(1-oxobutoxy)propyl] ester
OPENEYE Name: [2-(butanoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] butanoate
IUPAC Name: [2-(butanoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] butanoate
SYSTEMATIC NAME: [2-(butanoyloxymethyl)-2-(hydroxymethyl)-3-oxidanyl-propyl] butanoate
MOLECULAR FORMULA: C13H24O6
MOLECULAR WEIGHT: 276.32606
SMILES: CCCC(=O)OCC(CO)(CO)COC(=O)CCC
CAS RN: 94135-43-0
CAS Name: (2Z,4S,4aS,5aS,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; cyclohexylsulfamic acid
OPENEYE Name: (2Z,4S,4aS,5aS,6R,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; cyclohexylsulfamic acid
IUPAC Name: (2Z,4S,4aS,5aS,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; cyclohexylsulfamic acid
SYSTEMATIC NAME: (2Z,4S,4aS,5aS,6R,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methyl-6,10,11,12a-tetrakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; cyclohexylsulfamic acid
MOLECULAR FORMULA: C28H37N3O11S
MOLECULAR WEIGHT: 623.67188
SMILES: C[C@]1([C@H]2C[C@H]3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O.C1CCC(CC1)NS(=O)(=O)O
CAS RN: 94314-04-2
CAS Name: 4-[ethyl(2-hydroxyethyl)amino]-3-methylbenzenediazonium; tetrachlorozinc(2-)
OPENEYE Name: 4-[ethyl(2-hydroxyethyl)amino]-3-methyl-benzenediazonium; tetrachlorozinc(2-)
IUPAC Name: 4-[ethyl(2-hydroxyethyl)amino]-3-methylbenzenediazonium; tetrachlorozinc(2-)
SYSTEMATIC NAME: 4-[ethyl(2-hydroxyethyl)amino]-3-methyl-benzenediazonium; tetrakis(chloranyl)zinc(2-)
MOLECULAR FORMULA: C22H32Cl4N6O2Zn
MOLECULAR WEIGHT: 619.74948
SMILES: CCN(CCO)C1=C(C=C(C=C1)[N+]#N)C.CCN(CCO)C1=C(C=C(C=C1)[N+]#N)C.Cl[Zn-2](Cl)(Cl)Cl
CAS RN: 99670-22-1
CAS Name: disodium 4-[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]azo-1-(2-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxylate
OPENEYE Name: disodium 4-[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]azo-1-(2-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxylate
IUPAC Name: disodium 4-[[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]diazenyl]-1-(2-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxylate
SYSTEMATIC NAME: disodium 4-[[5-[(4-azanyl-6-chloranyl-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]diazenyl]-1-(2-chlorophenyl)-5-oxidanylidene-4H-pyrazole-3-carboxylate
MOLECULAR FORMULA: C19H11Cl2N9Na2O6S
MOLECULAR WEIGHT: 610.29788
SMILES: C1=CC=C(C(=C1)N2C(=O)C(C(=N2)C(=O)[O-])N=NC3=C(C=CC(=C3)NC4=NC(=NC(=N4)N)Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+]
CAS RN: 71205-37-3
CAS Name: sodium 5-[acetyl(methylsulfonyl)amino]-1-acetyloxy-2-naphthalenesulfonate
OPENEYE Name: sodium 1-acetoxy-5-[acetyl(methylsulfonyl)amino]naphthalene-2-sulfonate
IUPAC Name: sodium 5-[acetyl(methylsulfonyl)amino]-1-acetyloxynaphthalene-2-sulfonate
SYSTEMATIC NAME: sodium 1-acetyloxy-5-[ethanoyl(methylsulfonyl)amino]naphthalene-2-sulfonate
MOLECULAR FORMULA: C15H14NNaO8S2
MOLECULAR WEIGHT: 423.39333
SMILES: CC(=O)N(C1=CC=CC2=C1C=CC(=C2OC(=O)C)S(=O)(=O)[O-])S(=O)(=O)C.[Na+]
CAS RN: 93783-46-1
CAS Name: ethyl sulfate; 2-(3-ethyl-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine
OPENEYE Name: ethyl sulfate; 2-(3-ethyl-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine
IUPAC Name: ethyl sulfate; 2-(3-ethyl-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine
SYSTEMATIC NAME: ethyl sulfate; 2-(3-ethyl-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine
MOLECULAR FORMULA: C20H43N3O4S
MOLECULAR WEIGHT: 421.63812
SMILES: CCCCCCCCCCCC1=[N+](CCN1CC)CCN.CCOS(=O)(=O)[O-]
CAS RN: 12233-02-2
CAS Name: bismuth; neodymium
OPENEYE Name: bismuth; neodymium
IUPAC Name: bismuth; neodymium
SYSTEMATIC NAME: bismuth; neodymium
MOLECULAR FORMULA: BiNd
MOLECULAR WEIGHT: 353.22038
SMILES: [Nd].[Bi]
CAS RN: 148431-62-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H28N4O3
MOLECULAR WEIGHT: 468.54692
SMILES: C[C@H]1C(=O)N2[C@H](C[C@]3([C@@H]2N(C4=CC=CC=C43)C(=O)C)C(C)(C)C=C)C5=NC6=CC=CC=C6C(=O)N15
CAS RN: 69089-45-8
CAS Name: 2,2-dimethylpropane-1,3-diol; 2-oxepanone
OPENEYE Name: 2,2-dimethylpropane-1,3-diol; oxepan-2-one
IUPAC Name: 2,2-dimethylpropane-1,3-diol; oxepan-2-one
SYSTEMATIC NAME: 2,2-dimethylpropane-1,3-diol; oxepan-2-one
MOLECULAR FORMULA: C11H22O4
MOLECULAR WEIGHT: 218.28998
SMILES: CC(C)(CO)CO.C1CCC(=O)OCC1
CAS RN: 94134-79-9
CAS Name: 1-[(2E)-1-(2-hydroxypropoxy)-3,7-dimethylocta-2,6-dienoxy]-2-propanol
OPENEYE Name: 1-[(2E)-1-(2-hydroxypropoxy)-3,7-dimethyl-octa-2,6-dienoxy]propan-2-ol
IUPAC Name: 1-[(2E)-1-(2-hydroxypropoxy)-3,7-dimethylocta-2,6-dienoxy]propan-2-ol
SYSTEMATIC NAME: 1-[(2E)-3,7-dimethyl-1-(2-oxidanylpropoxy)octa-2,6-dienoxy]propan-2-ol
MOLECULAR FORMULA: C16H30O4
MOLECULAR WEIGHT: 286.407
SMILES: CC(COC(/C=C(\C)/CCC=C(C)C)OCC(C)O)O
CAS RN: 75790-77-1
CAS Name: sodium; (E)-2-butene-1,4-diol; hydrogen sulfite; 2-methyloxirane
OPENEYE Name: sodium; (E)-but-2-ene-1,4-diol; hydrogen sulfite; 2-methyloxirane
IUPAC Name: sodium; (E)-but-2-ene-1,4-diol; hydrogen sulfite; 2-methyloxirane
SYSTEMATIC NAME: sodium; (E)-but-2-ene-1,4-diol; hydrogen sulfite; 2-methyloxirane
MOLECULAR FORMULA: C7H15NaO6S
MOLECULAR WEIGHT: 250.24517
SMILES: CC1CO1.C(/C=C/CO)O.OS(=O)[O-].[Na+]
CAS RN: 94030-97-4
CAS Name: 2-[(8-fluoro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]isoindole-1,3-dione
OPENEYE Name: 2-[(8-fluoro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]isoindoline-1,3-dione
IUPAC Name: 2-[(8-fluoro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[(8-fluoranyl-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]isoindole-1,3-dione
MOLECULAR FORMULA: C25H20FN3O2
MOLECULAR WEIGHT: 413.443603
SMILES: CN1C(CN=C(C2=C1C=C(C=C2)F)C3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O
CAS RN: 83027-32-1
CAS Name: disodium 2-[2-[4-[2-[4-hydroxy-6-oxo-3-(4-sulfonatophenyl)azo-1-cyclohexa-2,4-dienylidene]hydrazinyl]phenyl]-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonate
OPENEYE Name: disodium 2-[2-[4-[2-[4-hydroxy-6-oxo-3-(4-sulfonatophenyl)azo-cyclohexa-2,4-dien-1-ylidene]hydrazino]phenyl]-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonate
IUPAC Name: disodium 2-[2-[4-[2-[4-hydroxy-6-oxo-3-[(4-sulfonatophenyl)diazenyl]cyclohexa-2,4-dien-1-ylidene]hydrazinyl]phenyl]-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonate
SYSTEMATIC NAME: disodium 6-methyl-2-[2-[4-[2-[4-oxidanyl-6-oxidanylidene-3-[(4-sulfonatophenyl)diazenyl]cyclohexa-2,4-dien-1-ylidene]hydrazinyl]phenyl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole-7-sulfonate
MOLECULAR FORMULA: C33H20N6Na2O8S4
MOLECULAR WEIGHT: 802.78684
SMILES: CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(S4)C5=CC=C(C=C5)NN=C6C=C(C(=CC6=O)O)N=NC7=CC=C(C=C7)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
CAS RN: 65214-86-0
CAS Name: 4-(diphenylmethyl)oxypiperidine hydrochloride
OPENEYE Name: 4-benzhydryloxypiperidine hydrochloride
IUPAC Name: 4-benzhydryloxypiperidine hydrochloride
SYSTEMATIC NAME: 4-(diphenylmethyl)oxypiperidine hydrochloride
MOLECULAR FORMULA: C18H22ClNO
MOLECULAR WEIGHT: 303.82638
SMILES: C1CNCCC1OC(C2=CC=CC=C2)C3=CC=CC=C3.Cl
CAS RN: 73836-71-2
CAS Name: 2-acetyloxybenzoic acid; 2-hydroxybenzoic acid
OPENEYE Name: 2-acetoxybenzoic acid; 2-hydroxybenzoic acid
IUPAC Name: 2-acetyloxybenzoic acid; 2-hydroxybenzoic acid
SYSTEMATIC NAME: 2-acetyloxybenzoic acid; 2-oxidanylbenzoic acid
MOLECULAR FORMULA: C16H14O7
MOLECULAR WEIGHT: 318.27816
SMILES: CC(=O)OC1=CC=CC=C1C(=O)O.C1=CC=C(C(=C1)C(=O)O)O
CAS RN: 70714-95-3
CAS Name: (2S)-2-(1-oxoprop-2-enylamino)butanedioic acid; 2-propenamide; 2-propenoic acid 6-methylheptyl ester
OPENEYE Name: 6-methylheptyl prop-2-enoate; prop-2-enamide; (2S)-2-(prop-2-enoylamino)butanedioic acid
IUPAC Name: 6-methylheptyl prop-2-enoate; prop-2-enamide; (2S)-2-(prop-2-enoylamino)butanedioic acid
SYSTEMATIC NAME: 6-methylheptyl prop-2-enoate; prop-2-enamide; (2S)-2-(prop-2-enoylamino)butanedioic acid
MOLECULAR FORMULA: C21H34N2O8
MOLECULAR WEIGHT: 442.50326
SMILES: CC(C)CCCCCOC(=O)C=C.C=CC(=O)N.C=CC(=O)N[C@@H](CC(=O)O)C(=O)O
CAS RN: 82212-95-1
CAS Name: 1-tert-butyl-4-ethenylbenzene; 1-ethenyl-2-methylbenzene; 2-methyl-2-propenoic acid
OPENEYE Name: 1-tert-butyl-4-vinyl-benzene; 2-methylprop-2-enoic acid; 1-methyl-2-vinyl-benzene
IUPAC Name: 1-tert-butyl-4-ethenylbenzene; 1-ethenyl-2-methylbenzene; 2-methylprop-2-enoic acid
SYSTEMATIC NAME: 1-tert-butyl-4-ethenyl-benzene; 1-ethenyl-2-methyl-benzene; 2-methylprop-2-enoic acid
MOLECULAR FORMULA: C25H32O2
MOLECULAR WEIGHT: 364.52038
SMILES: CC1=CC=CC=C1C=C.CC(=C)C(=O)O.CC(C)(C)C1=CC=C(C=C1)C=C
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