CAS RN: 11105-11-6
CAS Name: trioxotungsten hydrate
OPENEYE Name: trioxotungsten hydrate
IUPAC Name: trioxotungsten hydrate
SYSTEMATIC NAME: tris(oxidanylidene)tungsten hydrate
MOLECULAR FORMULA: H2O4W
MOLECULAR WEIGHT: 249.85348
SMILES: O.O=[W](=O)=O
Structure:
CAS RN: 11030-31-2
CAS Name: acetic acid [6-[[4-hydroxy-6-[[4-hydroxy-2-methyl-6-[[12,14,16-trihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-oxanyl]oxy]-2-methyl-3-oxanyl]oxy]-2-methyl-3-[[3,4,5-tri
OPENEYE Name: [6-[4-hydroxy-6-[4-hydroxy-2-methyl-6-[[12,14,16-trihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]tetrahydropyran-3-yl]oxy-2-methyl-tetrahydropyran-3-yl]oxy-2-methyl-3-[3,4
IUPAC Name: [6-[4-hydroxy-6-[4-hydroxy-2-methyl-6-[[12,14,16-trihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyl-3-[3,4,5-trihydroxy-6-(hydrox
SYSTEMATIC NAME: [6-[6-[6-[[10,13-dimethyl-12,14,16-tris(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-4-oxidanyl-oxan-3-yl]oxy-2-methyl-4-oxidanyl-oxan-3-yl]oxy-3-[6-(hydroxymethyl)
MOLECULAR FORMULA: C49H76O21
MOLECULAR WEIGHT: 1001.11514
SMILES: CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CC(C5C6=CC(=O)OC6)O)O)C)O)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O
Structure:
CAS RN: 10329-96-1
CAS Name: 2-[1-(4-morpholinylmethyl)-2,6-dioxo-4-piperidinyl]isoindole-1,3-dione
OPENEYE Name: 2-[1-(morpholinomethyl)-2,6-dioxo-4-piperidyl]isoindoline-1,3-dione
IUPAC Name: 2-[1-(morpholin-4-ylmethyl)-2,6-dioxopiperidin-4-yl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[1-(morpholin-4-ylmethyl)-2,6-bis(oxidanylidene)piperidin-4-yl]isoindole-1,3-dione
MOLECULAR FORMULA: C18H19N3O5
MOLECULAR WEIGHT: 357.36056
SMILES: C1COCCN1CN2C(=O)CC(CC2=O)N3C(=O)C4=CC=CC=C4C3=O
Structure:
CAS RN: 10310-16-4
CAS Name: N-(hydroxymethyl)carbamic acid (2-propan-2-yloxyphenyl) ester
OPENEYE Name: (2-isopropoxyphenyl) N-(hydroxymethyl)carbamate
IUPAC Name: (2-propan-2-yloxyphenyl) N-(hydroxymethyl)carbamate
SYSTEMATIC NAME: (2-propan-2-yloxyphenyl) N-(hydroxymethyl)carbamate
MOLECULAR FORMULA: C11H15NO4
MOLECULAR WEIGHT: 225.2411
SMILES: CC(C)OC1=CC=CC=C1OC(=O)NCO
Structure:
CAS RN: 10133-37-6
CAS Name: 2-nitro-N-phenyl-1-benzothiophen-3-amine
OPENEYE Name: 2-nitro-N-phenyl-benzothiophen-3-amine
IUPAC Name: 2-nitro-N-phenyl-1-benzothiophen-3-amine
SYSTEMATIC NAME: 2-nitro-N-phenyl-1-benzothiophen-3-amine
MOLECULAR FORMULA: C14H10N2O2S
MOLECULAR WEIGHT: 270.3064
SMILES: C1=CC=C(C=C1)NC2=C(SC3=CC=CC=C32)[N+](=O)[O-]
Structure:
CAS RN: 10058-07-8
CAS Name: 1,3-dimethyl-7-[2-(3-pyridinylmethylamino)ethyl]purine-2,6-dione; 3-pyridinecarboxylic acid
OPENEYE Name: 1,3-dimethyl-7-[2-(3-pyridylmethylamino)ethyl]purine-2,6-dione; nicotinic acid
IUPAC Name: 1,3-dimethyl-7-[2-(pyridin-3-ylmethylamino)ethyl]purine-2,6-dione; pyridine-3-carboxylic acid
SYSTEMATIC NAME: 1,3-dimethyl-7-[2-(pyridin-3-ylmethylamino)ethyl]purine-2,6-dione; pyridine-3-carboxylic acid
MOLECULAR FORMULA: C21H23N7O4
MOLECULAR WEIGHT: 437.45182
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC3=CN=CC=C3.C1=CC(=CN=C1)C(=O)O
Structure:
CAS RN: 10035-05-9
CAS Name: calcium dichlorate dihydrate
OPENEYE Name: calcium dichlorate dihydrate
IUPAC Name: calcium dichlorate dihydrate
SYSTEMATIC NAME: calcium dichlorate dihydrate
MOLECULAR FORMULA: CaCl2H4O8
MOLECULAR WEIGHT: 243.01096
SMILES: O.O.[O-]Cl(=O)=O.[O-]Cl(=O)=O.[Ca+2]
Structure:
CAS RN: 10031-37-5
CAS Name: chromium(3+) trisulfate pentadecahydrate
OPENEYE Name: dichromic trisulfate pentadecahydrate
IUPAC Name: chromium(3+) trisulfate pentadecahydrate
SYSTEMATIC NAME: chromium(3+) trisulfate pentadecahydrate
MOLECULAR FORMULA: Cr2H30O27S3
MOLECULAR WEIGHT: 662.4092
SMILES: O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cr+3].[Cr+3]
Structure:
CAS RN: 10027-64-2
CAS Name: 4-cyclohexyl-N-[2-[2-(4-cyclohexylbutylamino)ethylsulfonylthio]ethyl]-1-butanamine
OPENEYE Name: 4-cyclohexyl-N-[2-[2-(4-cyclohexylbutylamino)ethylsulfonylsulfanyl]ethyl]butan-1-amine
IUPAC Name: 4-cyclohexyl-N-[2-[2-(4-cyclohexylbutylamino)ethylsulfonylsulfanyl]ethyl]butan-1-amine
SYSTEMATIC NAME: 4-cyclohexyl-N-[2-[2-(4-cyclohexylbutylamino)ethylsulfonylsulfanyl]ethyl]butan-1-amine
MOLECULAR FORMULA: C24H48N2O2S2
MOLECULAR WEIGHT: 460.78012
SMILES: C1CCC(CC1)CCCCNCCSS(=O)(=O)CCNCCCCC2CCCCC2
Structure:
CAS RN: 10027-64-2
CAS Name: 4-cyclohexyl-N-[2-[2-(4-cyclohexylbutylamino)ethylsulfonylthio]ethyl]-1-butanamine dihydrochloride
OPENEYE Name: 4-cyclohexyl-N-[2-[2-(4-cyclohexylbutylamino)ethylsulfonylsulfanyl]ethyl]butan-1-amine dihydrochloride
IUPAC Name: 4-cyclohexyl-N-[2-[2-(4-cyclohexylbutylamino)ethylsulfonylsulfanyl]ethyl]butan-1-amine dihydrochloride
SYSTEMATIC NAME: 4-cyclohexyl-N-[2-[2-(4-cyclohexylbutylamino)ethylsulfonylsulfanyl]ethyl]butan-1-amine dihydrochloride
MOLECULAR FORMULA: C24H50Cl2N2O2S2
MOLECULAR WEIGHT: 533.702
SMILES: C1CCC(CC1)CCCCNCCSS(=O)(=O)CCNCCCCC2CCCCC2.Cl.Cl
Structure:
CAS RN: 10024-89-2
CAS Name: morpholine hydrochloride
OPENEYE Name: morpholine hydrochloride
IUPAC Name: morpholine hydrochloride
SYSTEMATIC NAME: morpholine hydrochloride
MOLECULAR FORMULA: C4H10ClNO
MOLECULAR WEIGHT: 123.5813
SMILES: C1COCCN1.Cl
Structure:
CAS RN: 10008-75-0
CAS Name: (2R,3R)-2,3-dimercaptobutanedioic acid
OPENEYE Name: (2R,3R)-2,3-bis(sulfanyl)butanedioic acid
IUPAC Name: (2R,3R)-2,3-bis(sulfanyl)butanedioic acid
SYSTEMATIC NAME: (2R,3R)-2,3-bis(sulfanyl)butanedioic acid
MOLECULAR FORMULA: C4H6O4S2
MOLECULAR WEIGHT: 182.21804
SMILES: [C@H]([C@@H](C(=O)O)S)(C(=O)O)S
Structure:
CAS RN: 4789-36-0
CAS Name: ethoxy-ethyl-hydroxy-sulfanylidenephosphorane
OPENEYE Name: ethoxy-ethyl-hydroxy-thioxo-$l^{5}-phosphane
IUPAC Name: ethoxy-ethyl-hydroxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: ethoxy-ethyl-oxidanyl-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C4H11O2PS
MOLECULAR WEIGHT: 154.167701
SMILES: CCOP(=S)(CC)O
Structure:
CAS RN: 7776-66-1
CAS Name: ethoxy-ethyl-hydroxy-sulfanylidenephosphorane
OPENEYE Name: ethoxy-ethyl-hydroxy-thioxo-$l^{5}-phosphane
IUPAC Name: ethoxy-ethyl-hydroxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: ethoxy-ethyl-oxidanyl-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C4H11O2PS
MOLECULAR WEIGHT: 154.167701
SMILES: CCOP(=S)(CC)O
Structure:
CAS RN: 7685-48-5
CAS Name: 3-[14-hydroxy-3-[[4-hydroxy-5-[[4-hydroxy-6-methyl-5-[(2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl)oxy]-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1
OPENEYE Name: 3-[14-hydroxy-3-[4-hydroxy-5-[4-hydroxy-6-methyl-5-[(2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl)oxy]tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclope
IUPAC Name: 3-[14-hydroxy-3-[4-hydroxy-5-[4-hydroxy-6-methyl-5-[(2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl)oxy]oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl
SYSTEMATIC NAME: 3-[10,13-dimethyl-3-[6-methyl-5-[6-methyl-4-oxidanyl-5-[(2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl)oxy]oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1
MOLECULAR FORMULA: C44H68O13
MOLECULAR WEIGHT: 805.00292
SMILES: CC1C2C(CC(O1)OC3C(OC(CC3O)OC4C(OC(CC4O)OC5CCC6(C(C5)CCC7C6CCC8(C7(CCC8C9=CC(=O)OC9)O)C)C)C)C)OC(O2)(C)C
Structure:
CAS RN: 7533-79-1
CAS Name: (2,5-dichloro-4-iodophenoxy)-diethoxy-sulfanylidenephosphorane
OPENEYE Name: (2,5-dichloro-4-iodo-phenoxy)-diethoxy-thioxo-$l^{5}-phosphane
IUPAC Name: (2,5-dichloro-4-iodophenoxy)-diethoxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: [2,5-bis(chloranyl)-4-iodanyl-phenoxy]-diethoxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C10H12Cl2IO3PS
MOLECULAR WEIGHT: 441.049711
SMILES: CCOP(=S)(OCC)OC1=CC(=C(C=C1Cl)I)Cl
Structure:
CAS RN: 36065-41-5
CAS Name: 3-phenyl-5,6-dihydroimidazo[2,1-b]thiazole
OPENEYE Name: 3-phenyl-5,6-dihydroimidazo[2,1-b]thiazole
IUPAC Name: 3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SYSTEMATIC NAME: 3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
MOLECULAR FORMULA: C11H10N2S
MOLECULAR WEIGHT: 202.2755
SMILES: C1CN2C(=CSC2=N1)C3=CC=CC=C3
Structure:
CAS RN: 7496-64-2
CAS Name: 3-phenyl-5,6-dihydroimidazo[2,1-b]thiazole
OPENEYE Name: 3-phenyl-5,6-dihydroimidazo[2,1-b]thiazole
IUPAC Name: 3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SYSTEMATIC NAME: 3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
MOLECULAR FORMULA: C11H10N2S
MOLECULAR WEIGHT: 202.2755
SMILES: C1CN2C(=CSC2=N1)C3=CC=CC=C3
Structure:
CAS RN: 7496-64-2
CAS Name: 3-phenyl-5,6-dihydroimidazo[2,1-b]thiazole hydrochloride
OPENEYE Name: 3-phenyl-5,6-dihydroimidazo[2,1-b]thiazole hydrochloride
IUPAC Name: 3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole hydrochloride
SYSTEMATIC NAME: 3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole hydrochloride
MOLECULAR FORMULA: C11H11ClN2S
MOLECULAR WEIGHT: 238.73644
SMILES: C1CN2C(=CSC2=N1)C3=CC=CC=C3.Cl
Structure:
CAS RN: 7459-75-8
CAS Name: acridine-3,6-diamine hydrochloride
OPENEYE Name: acridine-3,6-diamine hydrochloride
IUPAC Name: acridine-3,6-diamine hydrochloride
SYSTEMATIC NAME: acridine-3,6-diamine hydrochloride
MOLECULAR FORMULA: C13H12ClN3
MOLECULAR WEIGHT: 245.70748
SMILES: C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.Cl
Structure:
CAS RN: 7452-38-2
CAS Name: ethoxy-[4-(methylthio)phenoxy]-phenyl-sulfanylidenephosphorane
OPENEYE Name: ethoxy-(4-methylsulfanylphenoxy)-phenyl-thioxo-$l^{5}-phosphane
IUPAC Name: ethoxy-(4-methylsulfanylphenoxy)-phenyl-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: ethoxy-(4-methylsulfanylphenoxy)-phenyl-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C15H17O2PS2
MOLECULAR WEIGHT: 324.398041
SMILES: CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)SC
Structure:
CAS RN: 7310-87-4
CAS Name: 3-ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzoselenazole iodide
OPENEYE Name: 3-ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-1,3-benzoselenazole iodide
IUPAC Name: 3-ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzoselenazole iodide
SYSTEMATIC NAME: 3-ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-1,3-benzoselenazole iodide
MOLECULAR FORMULA: C22H23IN2Se2
MOLECULAR WEIGHT: 600.25589
SMILES: CCN1C2=CC=CC=C2[Se]C1=CC(=CC3=[N+](C4=CC=CC=C4[Se]3)CC)C.[I-]
Structure:
CAS RN: 7211-54-3
CAS Name: 3-amino-1-propanethiol hydrochloride
OPENEYE Name: 3-aminopropane-1-thiol hydrochloride
IUPAC Name: 3-aminopropane-1-thiol hydrochloride
SYSTEMATIC NAME: 3-azanylpropane-1-thiol hydrochloride
MOLECULAR FORMULA: C3H10ClNS
MOLECULAR WEIGHT: 127.6362
SMILES: C(CN)CS.Cl
Structure:
CAS RN: 7210-92-6
CAS Name: 2-[[2-(diethylamino)-1-oxoethyl]amino]-3-methylbenzoic acid methyl ester hydrochloride
OPENEYE Name: methyl 2-[[2-(diethylamino)acetyl]amino]-3-methyl-benzoate hydrochloride
IUPAC Name: methyl 2-[[2-(diethylamino)acetyl]amino]-3-methylbenzoate hydrochloride
SYSTEMATIC NAME: methyl 2-[2-(diethylamino)ethanoylamino]-3-methyl-benzoate hydrochloride
MOLECULAR FORMULA: C15H23ClN2O3
MOLECULAR WEIGHT: 314.80772
SMILES: CCN(CC)CC(=O)NC1=C(C=CC=C1C)C(=O)OC.Cl
Structure:
CAS RN: 7179-52-4
CAS Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 1-phenyl-N-(phenylmethyl)methanamine
OPENEYE Name: N-benzyl-1-phenyl-methanamine; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: N-benzyl-1-phenylmethanamine; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 1-phenyl-N-(phenylmethyl)methanamine
MOLECULAR FORMULA: C30H33N3O4S
MOLECULAR WEIGHT: 531.66572
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C=C1)CNCC2=CC=CC=C2
Structure:
CAS RN: 7177-43-7
CAS Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 2-(methylamino)-1,2-diphenylethanol
OPENEYE Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 2-(methylamino)-1,2-diphenyl-ethanol
IUPAC Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 2-(methylamino)-1,2-diphenylethanol
SYSTEMATIC NAME: (2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 2-(methylamino)-1,2-diphenyl-ethanol
MOLECULAR FORMULA: C31H35N3O5S
MOLECULAR WEIGHT: 561.6917
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CNC(C1=CC=CC=C1)C(C2=CC=CC=C2)O
Structure:
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