CAS RN: 52345-49-0
CAS Name: (E)-4-tert-butyldioxy-4-oxo-2-butenoic acid methyl ester
OPENEYE Name: methyl (E)-4-tert-butylperoxy-4-oxo-but-2-enoate
IUPAC Name: methyl (E)-4-tert-butylperoxy-4-oxobut-2-enoate
SYSTEMATIC NAME: methyl (E)-4-tert-butylperoxy-4-oxidanylidene-but-2-enoate
MOLECULAR FORMULA: C9H14O5
MOLECULAR WEIGHT: 202.20446
SMILES: CC(C)(C)OOC(=O)/C=C/C(=O)OC
Structure:
CAS RN: 52279-45-5
CAS Name: (6E)-6-[[3-[3-[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]propylamino]propylamino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6E)-6-[[3-[3-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]propylamino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6E)-6-[[3-[3-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6E)-6-[[3-[3-[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C20H25N3O2
MOLECULAR WEIGHT: 339.4314
SMILES: C1=C/C(=C\NCCCNCCCN/C=C\2/C(=O)C=CC=C2)/C(=O)C=C1
Structure:
CAS RN: 52279-43-3
CAS Name: (6E)-6-[[3-[3-[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]propoxy]propylamino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6E)-6-[[3-[3-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propoxy]propylamino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6E)-6-[[3-[3-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propoxy]propylamino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6E)-6-[[3-[3-[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]propoxy]propylamino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C20H24N2O3
MOLECULAR WEIGHT: 340.41616
SMILES: C1=C/C(=C\NCCCOCCCN/C=C\2/C(=O)C=CC=C2)/C(=O)C=C1
Structure:
CAS RN: 52279-42-2
CAS Name: (6E)-6-[[7-[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]heptylamino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6E)-6-[[7-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]heptylamino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6E)-6-[[7-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]heptylamino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6E)-6-[[7-[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]heptylamino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C21H26N2O2
MOLECULAR WEIGHT: 338.44334
SMILES: C1=C/C(=C\NCCCCCCCN/C=C\2/C(=O)C=CC=C2)/C(=O)C=C1
Structure:
CAS RN: 5223-58-5
CAS Name: (E)-2,2,7,7-tetramethyl-4-octene
OPENEYE Name: (E)-2,2,7,7-tetramethyloct-4-ene
IUPAC Name: (E)-2,2,7,7-tetramethyloct-4-ene
SYSTEMATIC NAME: (E)-2,2,7,7-tetramethyloct-4-ene
MOLECULAR FORMULA: C12H24
MOLECULAR WEIGHT: 168.31896
SMILES: CC(C)(C)C/C=C/CC(C)(C)C
Structure:
CAS RN: 5223-57-4
CAS Name: (Z)-2,2,7,7-tetramethyl-4-octene
OPENEYE Name: (Z)-2,2,7,7-tetramethyloct-4-ene
IUPAC Name: (Z)-2,2,7,7-tetramethyloct-4-ene
SYSTEMATIC NAME: (Z)-2,2,7,7-tetramethyloct-4-ene
MOLECULAR FORMULA: C12H24
MOLECULAR WEIGHT: 168.31896
SMILES: CC(C)(C)C/C=C\CC(C)(C)C
Structure:
CAS RN: 51944-68-4
CAS Name: (E)-N-(4-nitrophenyl)-2-butenamide
OPENEYE Name: (E)-N-(4-nitrophenyl)but-2-enamide
IUPAC Name: (E)-N-(4-nitrophenyl)but-2-enamide
SYSTEMATIC NAME: (E)-N-(4-nitrophenyl)but-2-enamide
MOLECULAR FORMULA: C10H10N2O3
MOLECULAR WEIGHT: 206.198
SMILES: C/C=C/C(=O)NC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 51944-66-2
CAS Name: (E)-1-(4-morpholinyl)-2-buten-1-one
OPENEYE Name: (E)-1-morpholinobut-2-en-1-one
IUPAC Name: (E)-1-morpholin-4-ylbut-2-en-1-one
SYSTEMATIC NAME: (E)-1-morpholin-4-ylbut-2-en-1-one
MOLECULAR FORMULA: C8H13NO2
MOLECULAR WEIGHT: 155.19432
SMILES: C/C=C/C(=O)N1CCOCC1
Structure:
CAS RN: 51944-65-1
CAS Name: (E)-1-(1-pyrrolidinyl)-2-buten-1-one
OPENEYE Name: (E)-1-pyrrolidin-1-ylbut-2-en-1-one
IUPAC Name: (E)-1-pyrrolidin-1-ylbut-2-en-1-one
SYSTEMATIC NAME: (E)-1-pyrrolidin-1-ylbut-2-en-1-one
MOLECULAR FORMULA: C8H13NO
MOLECULAR WEIGHT: 139.19492
SMILES: C/C=C/C(=O)N1CCCC1
Structure:
CAS RN: 51884-33-4
CAS Name: (Z)-4-diazonio-2,2,5,5-tetramethyl-3-hexen-3-olate
OPENEYE Name: (Z)-4-diazonio-2,2,5,5-tetramethyl-hex-3-en-3-olate
IUPAC Name: (Z)-4-diazonio-2,2,5,5-tetramethylhex-3-en-3-olate
SYSTEMATIC NAME: (Z)-4-diazonio-2,2,5,5-tetramethyl-hex-3-en-3-olate
MOLECULAR FORMULA: C10H18N2O
MOLECULAR WEIGHT: 182.26272
SMILES: CC(C)(C)/C(=C(\C(C)(C)C)/[O-])/[N+]#N
Structure:
CAS RN: 51647-34-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H11N
MOLECULAR WEIGHT: 205.25454
SMILES: C1=CC/2=NC(=C1)/C=C\C3=CC=C(C=C3)/C=C2
Structure:
CAS RN: 51500-43-7
CAS Name: 3-methyl-1-benzothiophene 1-oxide
OPENEYE Name: 3-methylbenzothiophene 1-oxide
IUPAC Name: 3-methyl-1-benzothiophene 1-oxide
SYSTEMATIC NAME: 3-methyl-1-benzothiophene 1-oxide
MOLECULAR FORMULA: C9H8OS
MOLECULAR WEIGHT: 164.22422
SMILES: CC1=CS(=O)C2=CC=CC=C12
Structure:
CAS RN: 50878-84-7
CAS Name: (E)-1-(2-chlorophenyl)-2-diazonioethenolate
OPENEYE Name: (E)-1-(2-chlorophenyl)-2-diazonio-ethenolate
IUPAC Name: (E)-1-(2-chlorophenyl)-2-diazonioethenolate
SYSTEMATIC NAME: (E)-1-(2-chlorophenyl)-2-diazonio-ethenolate
MOLECULAR FORMULA: C8H5ClN2O
MOLECULAR WEIGHT: 180.5911
SMILES: C1=CC=C(C(=C1)/C(=C\[N+]#N)/[O-])Cl
Structure:
CAS RN: 50838-23-8
CAS Name: (E)-1-(3,4-dihydro-2H-pyridin-1-yl)-2-buten-1-one
OPENEYE Name: (E)-1-(3,4-dihydro-2H-pyridin-1-yl)but-2-en-1-one
IUPAC Name: (E)-1-(3,4-dihydro-2H-pyridin-1-yl)but-2-en-1-one
SYSTEMATIC NAME: (E)-1-(3,4-dihydro-2H-pyridin-1-yl)but-2-en-1-one
MOLECULAR FORMULA: C9H13NO
MOLECULAR WEIGHT: 151.20562
SMILES: C/C=C/C(=O)N1CCCC=C1
Structure:
CAS RN: 50703-41-8
CAS Name: (5Z)-bicyclo[8.2.2]tetradeca-1(12),5,10,13-tetraene
OPENEYE Name: (5Z)-bicyclo[8.2.2]tetradeca-1(12),5,10,13-tetraene
IUPAC Name: (5Z)-bicyclo[8.2.2]tetradeca-1(12),5,10,13-tetraene
SYSTEMATIC NAME: (5Z)-bicyclo[8.2.2]tetradeca-1(12),5,10,13-tetraene
MOLECULAR FORMULA: C14H18
MOLECULAR WEIGHT: 186.29272
SMILES: C1C/C=C\CCCC2=CC=C(C1)C=C2
Structure:
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