CAS RN: 13929-40-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H56N2O13
MOLECULAR WEIGHT: 808.91034
SMILES: CC1/C=C/C=C(/C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)N5CCCC5)\C
Structure:
CAS RN: 13929-39-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H54N2O13
MOLECULAR WEIGHT: 830.91586
SMILES: CC1/C=C/C=C(/C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)NC5=CC=CC=C5)\C
Structure:
CAS RN: 13922-04-8
CAS Name: 2-[(Z)-[(1Z)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine; sulfuric acid
OPENEYE Name: 2-[(Z)-[(2Z)-2-(diaminomethylenehydrazono)-1-methyl-ethylidene]amino]guanidine; sulfuric acid
IUPAC Name: 2-[(Z)-[(1Z)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine; sulfuric acid
SYSTEMATIC NAME: 2-[(Z)-[(1Z)-1-[bis(azanyl)methylidenehydrazinylidene]propan-2-ylidene]amino]guanidine; sulfuric acid
MOLECULAR FORMULA: C5H14N8O4S
MOLECULAR WEIGHT: 282.28086
SMILES: C/C(=N/N=C(N)N)/C=N\N=C(N)N.OS(=O)(=O)O
Structure:
CAS RN: 13640-49-8
CAS Name: (2E)-2-[(1-methyl-4-pyridin-1-iumyl)methylidene]-1-cyclohexanone iodide
OPENEYE Name: (2E)-2-[(1-methylpyridin-1-ium-4-yl)methylene]cyclohexanone iodide
IUPAC Name: (2E)-2-[(1-methylpyridin-1-ium-4-yl)methylidene]cyclohexan-1-one iodide
SYSTEMATIC NAME: (2E)-2-[(1-methylpyridin-1-ium-4-yl)methylidene]cyclohexan-1-one iodide
MOLECULAR FORMULA: C13H16INO
MOLECULAR WEIGHT: 329.17671
SMILES: C[N+]1=CC=C(C=C1)/C=C/2\CCCCC2=O.[I-]
Structure:
CAS RN: 13640-48-7
CAS Name: (2E)-2-[(1-methyl-3-pyridin-1-iumyl)methylidene]-1-cyclohexanone iodide
OPENEYE Name: (2E)-2-[(1-methylpyridin-1-ium-3-yl)methylene]cyclohexanone iodide
IUPAC Name: (2E)-2-[(1-methylpyridin-1-ium-3-yl)methylidene]cyclohexan-1-one iodide
SYSTEMATIC NAME: (2E)-2-[(1-methylpyridin-1-ium-3-yl)methylidene]cyclohexan-1-one iodide
MOLECULAR FORMULA: C13H16INO
MOLECULAR WEIGHT: 329.17671
SMILES: C[N+]1=CC=CC(=C1)/C=C/2\CCCCC2=O.[I-]
Structure:
CAS RN: 13549-19-4
CAS Name: (Z)-2-butenedioic acid; 1-(4-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine
OPENEYE Name: 1-(4-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 1-(4-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 1-(4-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine
MOLECULAR FORMULA: C23H25ClN2O4S
MOLECULAR WEIGHT: 460.9736
SMILES: CN1CCN(CC1)C2CC3=C(C=CC=C3Cl)SC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 13542-71-7
CAS Name: N,N-diethyl-2-[4-[(E)-1-(4-methoxyphenyl)-2-phenylethenyl]phenoxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
OPENEYE Name: citric acid; N,N-diethyl-2-[4-[(E)-1-(4-methoxyphenyl)-2-phenyl-vinyl]phenoxy]ethanamine
IUPAC Name: N,N-diethyl-2-[4-[(E)-1-(4-methoxyphenyl)-2-phenylethenyl]phenoxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
SYSTEMATIC NAME: N,N-diethyl-2-[4-[(E)-1-(4-methoxyphenyl)-2-phenyl-ethenyl]phenoxy]ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C33H39NO9
MOLECULAR WEIGHT: 593.66406
SMILES: CCN(CC)CCOC1=CC=C(C=C1)/C(=C/C2=CC=CC=C2)/C3=CC=C(C=C3)OC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Structure:
CAS RN: 13500-99-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H31NO5
MOLECULAR WEIGHT: 437.52804
SMILES: CC(C1CC2C3=CC=CC=C3C1C4=CC=CC=C24)OCCN(C)C.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 13500-98-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H29NO5
MOLECULAR WEIGHT: 423.50146
SMILES: CN(C)CCCOC1CC2C3=CC=CC=C3C1C4=CC=CC=C24.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 13500-97-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H31NO5
MOLECULAR WEIGHT: 449.53874
SMILES: C1CCN(CC1)CCOC2CC3C4=CC=CC=C4C2C5=CC=CC=C35.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 13500-96-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H27NO5
MOLECULAR WEIGHT: 409.47488
SMILES: CN(C)CCOC1CC2C3=CC=CC=C3C1C4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 13500-67-9
CAS Name: (Z)-2-butenedioic acid; 2-methyl-1,1-diphenyl-3-(propylamino)-1-propanol
OPENEYE Name: maleic acid; 2-methyl-1,1-diphenyl-3-(propylamino)propan-1-ol
IUPAC Name: (Z)-but-2-enedioic acid; 2-methyl-1,1-diphenyl-3-(propylamino)propan-1-ol
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 2-methyl-1,1-diphenyl-3-(propylamino)propan-1-ol
MOLECULAR FORMULA: C23H29NO5
MOLECULAR WEIGHT: 399.48006
SMILES: CCCNCC(C)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 13500-66-8
CAS Name: (Z)-2-butenedioic acid; 3-(butylamino)-2-methyl-1,1-diphenyl-1-propanol
OPENEYE Name: 3-(butylamino)-2-methyl-1,1-diphenyl-propan-1-ol; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 3-(butylamino)-2-methyl-1,1-diphenylpropan-1-ol
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 3-(butylamino)-2-methyl-1,1-diphenyl-propan-1-ol
MOLECULAR FORMULA: C24H31NO5
MOLECULAR WEIGHT: 413.50664
SMILES: CCCCNCC(C)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 13456-01-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H54N2O13
MOLECULAR WEIGHT: 830.91586
SMILES: C[C@H]1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NOCC5=CC=CC=C5)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 13445-35-7
CAS Name: N-[2-(diethylamino)ethyl]-1-(2,6-dimethylphenyl)methanimine oxide hydrochloride
OPENEYE Name: N-[2-(diethylamino)ethyl]-1-(2,6-dimethylphenyl)methanimine oxide hydrochloride
IUPAC Name: N-[2-(diethylamino)ethyl]-1-(2,6-dimethylphenyl)methanimine oxide hydrochloride
SYSTEMATIC NAME: N-[2-(diethylamino)ethyl]-1-(2,6-dimethylphenyl)methanimine oxide hydrochloride
MOLECULAR FORMULA: C15H25ClN2O
MOLECULAR WEIGHT: 284.8248
SMILES: CCN(CC)CC/[N+](=C/C1=C(C=CC=C1C)C)/[O-].Cl
Structure:
CAS RN: 13440-40-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H53NO14
MOLECULAR WEIGHT: 771.84712
SMILES: C[C@H]1/C=C/C=C(/C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C(=C2C(OC)OC)O)O)\C
Structure:
CAS RN: 13384-59-3
CAS Name: (E)-2-butenedioic acid; 2-[2-(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)ethoxy]-N,N-diethylethanamine
OPENEYE Name: 2-[2-(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)ethoxy]-N,N-diethyl-ethanamine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 2-[2-(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)ethoxy]-N,N-diethylethanamine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-[2-(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)ethoxy]-N,N-diethyl-ethanamine
MOLECULAR FORMULA: C21H35NO5
MOLECULAR WEIGHT: 381.5063
SMILES: CCN(CC)CCOCCC1=CCC2CC1C2(C)C.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 13292-44-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H62N4O12
MOLECULAR WEIGHT: 850.99338
SMILES: CC1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN5CCC(CC5)N(C)C)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 13292-35-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H57N3O12
MOLECULAR WEIGHT: 795.91488
SMILES: CCN(CC)N/C=C/1\C2=C(C3=C(C(=C4C(=C3C1=O)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)N2)\C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O)O
Structure:
CAS RN: 13292-31-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H51N3O12
MOLECULAR WEIGHT: 753.83514
SMILES: C[C@H]1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NNC)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 13232-69-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H53IN2O13
MOLECULAR WEIGHT: 956.81239
SMILES: CC1/C=C/C=C(/C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)NC5=CC=C(C=C5)I)\C
Structure:
CAS RN: 12698-99-6
CAS Name: (4E,6E,8E,10E,12E,14Z,16Z)-3-[(4-amino-3,5-dihydroxy-6-methyl-2-oxanyl)oxy]-19-[7-(4-aminophenyl)-5-hydroxy-7-oxoheptan-2-yl]-25,27,31,33,35,37-hexahydroxy-18-methyl-21,23-dioxo-20,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxy
OPENEYE Name: (4E,6E,8E,10E,12E,14Z,16Z)-3-(4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-19-[6-(4-aminophenyl)-4-hydroxy-1-methyl-6-oxo-hexyl]-25,27,31,33,35,37-hexahydroxy-18-methyl-21,23-dioxo-20,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-hepta
IUPAC Name: (4E,6E,8E,10E,12E,14Z,16Z)-3-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-19-[7-(4-aminophenyl)-5-hydroxy-7-oxoheptan-2-yl]-25,27,31,33,35,37-hexahydroxy-18-methyl-21,23-dioxo-20,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxyli
SYSTEMATIC NAME: (4E,6E,8E,10E,12E,14Z,16Z)-19-[7-(4-aminophenyl)-5-oxidanyl-7-oxidanylidene-heptan-2-yl]-3-[4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-18-methyl-25,27,31,33,35,37-hexakis(oxidanyl)-21,23-bis(oxidanylidene)-20,39-dioxabicyclo[33.3.1]nonatriaconta-4,6
MOLECULAR FORMULA: C58H84N2O18
MOLECULAR WEIGHT: 1097.29016
SMILES: CC1/C=C\C=C/C=C/C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(CC(CCCC(CC(CC(=O)CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)N)O)O)O)O)O)O)O)C(=O)O)OC4C(C(C(C(O4)C)O)N)O
Structure:
CAS RN: 11111-50-5
CAS Name: (3Z)-1,1,2,3-tetrachlorohexa-1,3,5-triene
OPENEYE Name: (3Z)-1,1,2,3-tetrachlorohexa-1,3,5-triene
IUPAC Name: (3Z)-1,1,2,3-tetrachlorohexa-1,3,5-triene
SYSTEMATIC NAME: (3Z)-1,1,2,3-tetrakis(chloranyl)hexa-1,3,5-triene
MOLECULAR FORMULA: C6H4Cl4
MOLECULAR WEIGHT: 217.90796
SMILES: C=C/C=C(/C(=C(Cl)Cl)Cl)\Cl
Structure:
CAS RN: 11034-63-2
CAS Name: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[[(2R,3R,4R,5S,6R)-5-[[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-2-oxanyl]oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl]oxyme
OPENEYE Name: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-m
IUPAC Name: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl
SYSTEMATIC NAME: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-15-[[(2R,3R,4R,5R,6R)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-6-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-
MOLECULAR FORMULA: C49H83NO20
MOLECULAR WEIGHT: 1006.17802
SMILES: CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC.CC(C(=O)O)O
Structure:
CAS RN: 11033-23-1
CAS Name: (3Z,5R,6Z,8S,9Z,13S,14R)-5,8-dihydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
OPENEYE Name: (3Z,5R,6Z,8S,9Z,13S,14R)-5,8-dihydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
IUPAC Name: (3Z,5R,6Z,8S,9Z,13S,14R)-5,8-dihydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
SYSTEMATIC NAME: (3Z,5R,6Z,8S,9Z,13S,14R)-5,9,13,14-tetramethyl-5,8-bis(oxidanyl)-1-oxacyclotetradeca-3,6,9-trien-2-one
MOLECULAR FORMULA: C17H26O4
MOLECULAR WEIGHT: 294.38594
SMILES: C[C@H]1CC/C=C(\[C@H](/C=C\[C@@](/C=C\C(=O)O[C@@H]1C)(C)O)O)/C
Structure:
CAS RN: 10586-40-0
CAS Name: (2Z)-4-acetyl-5-hydroxy-2-[(4-nitrophenyl)methylidene]-3-thiophenone
OPENEYE Name: (2Z)-4-acetyl-5-hydroxy-2-[(4-nitrophenyl)methylene]thiophen-3-one
IUPAC Name: (2Z)-4-acetyl-5-hydroxy-2-[(4-nitrophenyl)methylidene]thiophen-3-one
SYSTEMATIC NAME: (2Z)-4-ethanoyl-2-[(4-nitrophenyl)methylidene]-5-oxidanyl-thiophen-3-one
MOLECULAR FORMULA: C13H9NO5S
MOLECULAR WEIGHT: 291.27926
SMILES: CC(=O)C1=C(S/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C1=O)O
Structure:
CAS RN: 10561-01-0
CAS Name: 4-[(Z)-3-chlorobut-2-enyl]-1,2-diphenylpyrazolidine-3,5-dione
OPENEYE Name: 4-[(Z)-3-chlorobut-2-enyl]-1,2-diphenyl-pyrazolidine-3,5-dione
IUPAC Name: 4-[(Z)-3-chlorobut-2-enyl]-1,2-diphenylpyrazolidine-3,5-dione
SYSTEMATIC NAME: 4-[(Z)-3-chloranylbut-2-enyl]-1,2-diphenyl-pyrazolidine-3,5-dione
MOLECULAR FORMULA: C19H17ClN2O2
MOLECULAR WEIGHT: 340.80348
SMILES: C/C(=C/CC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)/Cl
Structure:
CAS RN: 10537-89-0
CAS Name: 2,6-ditert-butyl-4-[(E)-2-nitroethenyl]phenol
OPENEYE Name: 2,6-ditert-butyl-4-[(E)-2-nitrovinyl]phenol
IUPAC Name: 2,6-ditert-butyl-4-[(E)-2-nitroethenyl]phenol
SYSTEMATIC NAME: 2,6-ditert-butyl-4-[(E)-2-nitroethenyl]phenol
MOLECULAR FORMULA: C16H23NO3
MOLECULAR WEIGHT: 277.35872
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/[N+](=O)[O-]
Structure:
CAS RN: 10434-52-3
CAS Name: (2Z)-4-benzoyl-5-hydroxy-2-[(4-methoxyphenyl)methylidene]-3-thiophenone
OPENEYE Name: (2Z)-4-benzoyl-5-hydroxy-2-[(4-methoxyphenyl)methylene]thiophen-3-one
IUPAC Name: (2Z)-4-benzoyl-5-hydroxy-2-[(4-methoxyphenyl)methylidene]thiophen-3-one
SYSTEMATIC NAME: (2Z)-2-[(4-methoxyphenyl)methylidene]-5-oxidanyl-4-(phenylcarbonyl)thiophen-3-one
MOLECULAR FORMULA: C19H14O4S
MOLECULAR WEIGHT: 338.37706
SMILES: COC1=CC=C(C=C1)/C=C\2/C(=O)C(=C(S2)O)C(=O)C3=CC=CC=C3
Structure:
CAS RN: 10434-50-1
CAS Name: (2Z)-4-benzoyl-2-[[4-(dimethylamino)phenyl]methylidene]-5-hydroxy-3-thiophenone
OPENEYE Name: (2Z)-4-benzoyl-2-[[4-(dimethylamino)phenyl]methylene]-5-hydroxy-thiophen-3-one
IUPAC Name: (2Z)-4-benzoyl-2-[[4-(dimethylamino)phenyl]methylidene]-5-hydroxythiophen-3-one
SYSTEMATIC NAME: (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-5-oxidanyl-4-(phenylcarbonyl)thiophen-3-one
MOLECULAR FORMULA: C20H17NO3S
MOLECULAR WEIGHT: 351.41888
SMILES: CN(C)C1=CC=C(C=C1)/C=C\2/C(=O)C(=C(S2)O)C(=O)C3=CC=CC=C3
Structure:
CAS RN: 10434-47-6
CAS Name: (2Z)-4-acetyl-5-hydroxy-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]-3-thiophenone
OPENEYE Name: (2Z)-4-acetyl-5-hydroxy-2-[(2,3,4,5,6-pentafluorophenyl)methylene]thiophen-3-one
IUPAC Name: (2Z)-4-acetyl-5-hydroxy-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]thiophen-3-one
SYSTEMATIC NAME: (2Z)-4-ethanoyl-5-oxidanyl-2-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methylidene]thiophen-3-one
MOLECULAR FORMULA: C13H5F5O3S
MOLECULAR WEIGHT: 336.234016
SMILES: CC(=O)C1=C(S/C(=C\C2=C(C(=C(C(=C2F)F)F)F)F)/C1=O)O
Structure:
CAS RN: 10434-45-4
CAS Name: (2Z)-4-acetyl-2-[(4-bromophenyl)methylidene]-5-hydroxy-3-thiophenone
OPENEYE Name: (2Z)-4-acetyl-2-[(4-bromophenyl)methylene]-5-hydroxy-thiophen-3-one
IUPAC Name: (2Z)-4-acetyl-2-[(4-bromophenyl)methylidene]-5-hydroxythiophen-3-one
SYSTEMATIC NAME: (2Z)-2-[(4-bromophenyl)methylidene]-4-ethanoyl-5-oxidanyl-thiophen-3-one
MOLECULAR FORMULA: C13H9BrO3S
MOLECULAR WEIGHT: 325.17776
SMILES: CC(=O)C1=C(S/C(=C\C2=CC=C(C=C2)Br)/C1=O)O
Structure:
CAS RN: 10434-44-3
CAS Name: (2Z)-4-acetyl-2-[(4-chlorophenyl)methylidene]-5-hydroxy-3-thiophenone
OPENEYE Name: (2Z)-4-acetyl-2-[(4-chlorophenyl)methylene]-5-hydroxy-thiophen-3-one
IUPAC Name: (2Z)-4-acetyl-2-[(4-chlorophenyl)methylidene]-5-hydroxythiophen-3-one
SYSTEMATIC NAME: (2Z)-2-[(4-chlorophenyl)methylidene]-4-ethanoyl-5-oxidanyl-thiophen-3-one
MOLECULAR FORMULA: C13H9ClO3S
MOLECULAR WEIGHT: 280.72676
SMILES: CC(=O)C1=C(S/C(=C\C2=CC=C(C=C2)Cl)/C1=O)O
Structure:
CAS RN: 10434-43-2
CAS Name: (2Z)-4-acetyl-2-[(3,4-dichlorophenyl)methylidene]-5-hydroxy-3-thiophenone
OPENEYE Name: (2Z)-4-acetyl-2-[(3,4-dichlorophenyl)methylene]-5-hydroxy-thiophen-3-one
IUPAC Name: (2Z)-4-acetyl-2-[(3,4-dichlorophenyl)methylidene]-5-hydroxythiophen-3-one
SYSTEMATIC NAME: (2Z)-2-[(3,4-dichlorophenyl)methylidene]-4-ethanoyl-5-oxidanyl-thiophen-3-one
MOLECULAR FORMULA: C13H8Cl2O3S
MOLECULAR WEIGHT: 315.17182
SMILES: CC(=O)C1=C(S/C(=C\C2=CC(=C(C=C2)Cl)Cl)/C1=O)O
Structure:
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