CAS RN: 40702-21-4
CAS Name: lithium 3-cyclohexylpropanoate
OPENEYE Name: lithium 3-cyclohexylpropanoate
IUPAC Name: lithium 3-cyclohexylpropanoate
SYSTEMATIC NAME: lithium 3-cyclohexylpropanoate
MOLECULAR FORMULA: C9H15LiO2
MOLECULAR WEIGHT: 162.1552
SMILES: [Li+].C1CCC(CC1)CCC(=O)[O-]
Structure:
CAS RN: 16090-05-4
CAS Name: lithium 4-methylbenzoate
OPENEYE Name: lithium 4-methylbenzoate
IUPAC Name: lithium 4-methylbenzoate
SYSTEMATIC NAME: lithium 4-methylbenzoate
MOLECULAR FORMULA: C8H7LiO2
MOLECULAR WEIGHT: 142.08098
SMILES: [Li+].CC1=CC=C(C=C1)C(=O)[O-]
Structure:
CAS RN: 127378-77-2
CAS Name: (5E)-5-[(3-propan-2-yloxyphenyl)methylidene]-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: (5E)-5-[(3-isopropoxyphenyl)methylene]-2-thioxo-thiazolidin-4-one
IUPAC Name: (5E)-5-[(3-propan-2-yloxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: (5E)-5-[(3-propan-2-yloxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C13H13NO2S2
MOLECULAR WEIGHT: 279.37782
SMILES: CC(C)OC1=CC=CC(=C1)/C=C/2\C(=O)NC(=S)S2
Structure:
CAS RN: 127378-24-9
CAS Name: (5E)-5-[(3-ethoxyphenyl)methylidene]-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: (5E)-5-[(3-ethoxyphenyl)methylene]-2-thioxo-thiazolidin-4-one
IUPAC Name: (5E)-5-[(3-ethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: (5E)-5-[(3-ethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C12H11NO2S2
MOLECULAR WEIGHT: 265.35124
SMILES: CCOC1=CC=CC(=C1)/C=C/2\C(=O)NC(=S)S2
Structure:
CAS RN: 159092-33-8
CAS Name: sodium 1,3-dioxo-2-inden-2-idecarboxylic acid ethyl ester
OPENEYE Name: sodium ethyl 1,3-dioxoindan-2-ide-2-carboxylate
IUPAC Name: sodium ethyl 1,3-dioxoinden-2-ide-2-carboxylate
SYSTEMATIC NAME: sodium ethyl 1,3-bis(oxidanylidene)inden-2-ide-2-carboxylate
MOLECULAR FORMULA: C12H9NaO4
MOLECULAR WEIGHT: 240.18723
SMILES: CCOC(=O)[C-]1C(=O)C2=CC=CC=C2C1=O.[Na+]
Structure:
CAS RN: 49583-83-7
CAS Name: sodium 1,3-dioxo-2-inden-2-idecarboxylic acid ethyl ester
OPENEYE Name: sodium ethyl 1,3-dioxoindan-2-ide-2-carboxylate
IUPAC Name: sodium ethyl 1,3-dioxoinden-2-ide-2-carboxylate
SYSTEMATIC NAME: sodium ethyl 1,3-bis(oxidanylidene)inden-2-ide-2-carboxylate
MOLECULAR FORMULA: C12H9NaO4
MOLECULAR WEIGHT: 240.18723
SMILES: CCOC(=O)[C-]1C(=O)C2=CC=CC=C2C1=O.[Na+]
Structure:
CAS RN: 65735-88-8
CAS Name: sodium 1,3-dioxo-2-inden-2-idecarboxylic acid ethyl ester
OPENEYE Name: sodium ethyl 1,3-dioxoindan-2-ide-2-carboxylate
IUPAC Name: sodium ethyl 1,3-dioxoinden-2-ide-2-carboxylate
SYSTEMATIC NAME: sodium ethyl 1,3-bis(oxidanylidene)inden-2-ide-2-carboxylate
MOLECULAR FORMULA: C12H9NaO4
MOLECULAR WEIGHT: 240.18723
SMILES: CCOC(=O)[C-]1C(=O)C2=CC=CC=C2C1=O.[Na+]
Structure:
CAS RN: 81419-54-7
CAS Name: sodium 1,3-dioxo-2-inden-2-idecarboxylic acid ethyl ester
OPENEYE Name: sodium ethyl 1,3-dioxoindan-2-ide-2-carboxylate
IUPAC Name: sodium ethyl 1,3-dioxoinden-2-ide-2-carboxylate
SYSTEMATIC NAME: sodium ethyl 1,3-bis(oxidanylidene)inden-2-ide-2-carboxylate
MOLECULAR FORMULA: C12H9NaO4
MOLECULAR WEIGHT: 240.18723
SMILES: CCOC(=O)[C-]1C(=O)C2=CC=CC=C2C1=O.[Na+]
Structure:
CAS RN: 890663-05-5
CAS Name: sodium 1,3-dioxo-2-inden-2-idecarboxylic acid ethyl ester
OPENEYE Name: sodium ethyl 1,3-dioxoindan-2-ide-2-carboxylate
IUPAC Name: sodium ethyl 1,3-dioxoinden-2-ide-2-carboxylate
SYSTEMATIC NAME: sodium ethyl 1,3-bis(oxidanylidene)inden-2-ide-2-carboxylate
MOLECULAR FORMULA: C12H9NaO4
MOLECULAR WEIGHT: 240.18723
SMILES: CCOC(=O)[C-]1C(=O)C2=CC=CC=C2C1=O.[Na+]
Structure:
CAS RN: 89272-22-0
CAS Name: sodium 1,3-dioxo-2-inden-2-idecarboxylic acid ethyl ester
OPENEYE Name: sodium ethyl 1,3-dioxoindan-2-ide-2-carboxylate
IUPAC Name: sodium ethyl 1,3-dioxoinden-2-ide-2-carboxylate
SYSTEMATIC NAME: sodium ethyl 1,3-bis(oxidanylidene)inden-2-ide-2-carboxylate
MOLECULAR FORMULA: C12H9NaO4
MOLECULAR WEIGHT: 240.18723
SMILES: CCOC(=O)[C-]1C(=O)C2=CC=CC=C2C1=O.[Na+]
Structure:
CAS RN: 93393-44-3
CAS Name: sodium 1,3-dioxo-2-inden-2-idecarboxylic acid ethyl ester
OPENEYE Name: sodium ethyl 1,3-dioxoindan-2-ide-2-carboxylate
IUPAC Name: sodium ethyl 1,3-dioxoinden-2-ide-2-carboxylate
SYSTEMATIC NAME: sodium ethyl 1,3-bis(oxidanylidene)inden-2-ide-2-carboxylate
MOLECULAR FORMULA: C12H9NaO4
MOLECULAR WEIGHT: 240.18723
SMILES: CCOC(=O)[C-]1C(=O)C2=CC=CC=C2C1=O.[Na+]
Structure:
CAS RN: 452349-54-1
CAS Name: 5-bromo-2-(1-oxobutylamino)benzoic acid methyl ester
OPENEYE Name: methyl 5-bromo-2-(butanoylamino)benzoate
IUPAC Name: methyl 5-bromo-2-(butanoylamino)benzoate
SYSTEMATIC NAME: methyl 5-bromanyl-2-(butanoylamino)benzoate
MOLECULAR FORMULA: C12H14BrNO3
MOLECULAR WEIGHT: 300.14846
SMILES: CCCC(=O)NC1=C(C=C(C=C1)Br)C(=O)OC
Structure:
CAS RN: 532-02-5
CAS Name: sodium 2-naphthalenesulfonic acid
OPENEYE Name: sodium naphthalene-2-sulfonic acid
IUPAC Name: sodium naphthalene-2-sulfonic acid
SYSTEMATIC NAME: sodium naphthalene-2-sulfonic acid
MOLECULAR FORMULA: C10H8NaO3S+
MOLECULAR WEIGHT: 231.22349
SMILES: C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O.[Na+]
Structure:
CAS RN: 3760-52-9
CAS Name: 3-pyrrolidinone hydrochloride
OPENEYE Name: pyrrolidin-3-one hydrochloride
IUPAC Name: pyrrolidin-3-one hydrochloride
SYSTEMATIC NAME: pyrrolidin-3-one hydrochloride
MOLECULAR FORMULA: C4H8ClNO
MOLECULAR WEIGHT: 121.56542
SMILES: C1CNCC1=O.Cl
Structure:
CAS RN: 72828-55-8
CAS Name: hexasodium borate phosphate
OPENEYE Name: hexasodium borate phosphate
IUPAC Name: hexasodium borate phosphate
SYSTEMATIC NAME: hexasodium borate phosphate
MOLECULAR FORMULA: BNa6O7P
MOLECULAR WEIGHT: 291.719181
SMILES: B([O-])([O-])[O-].[O-]P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 933791-33-4
CAS Name: 2-[6-(hydroxymethyl)-2-pyridinyl]-2-propanol
OPENEYE Name: 2-[6-(hydroxymethyl)-2-pyridyl]propan-2-ol
IUPAC Name: 2-[6-(hydroxymethyl)pyridin-2-yl]propan-2-ol
SYSTEMATIC NAME: 2-[6-(hydroxymethyl)pyridin-2-yl]propan-2-ol
MOLECULAR FORMULA: C9H13NO2
MOLECULAR WEIGHT: 167.20502
SMILES: CC(C)(C1=CC=CC(=N1)CO)O
Structure:
CAS RN: 10025-75-9
CAS Name: erbium(3+) trichloride hexahydrate
OPENEYE Name: erbium(3+) trichloride hexahydrate
IUPAC Name: erbium(3+) trichloride hexahydrate
SYSTEMATIC NAME: erbium(3+) trichloride hexahydrate
MOLECULAR FORMULA: Cl3ErH12O6
MOLECULAR WEIGHT: 381.70968
SMILES: O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Er+3]
Structure:
CAS RN: 84473-81-4
CAS Name: 3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enecarbonyl chloride
OPENEYE Name: 3,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carbonyl chloride
IUPAC Name: 3,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carbonyl chloride
SYSTEMATIC NAME: 3,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carbonyl chloride
MOLECULAR FORMULA: C10H13ClO
MOLECULAR WEIGHT: 184.66262
SMILES: CC1(C2CC(C1C(=O)Cl)C=C2)C
Structure:
CAS RN: 115491-61-7
CAS Name: butan-2-yl(dibutyl)phosphine
OPENEYE Name: dibutyl(sec-butyl)phosphane
IUPAC Name: butan-2-yl(dibutyl)phosphane
SYSTEMATIC NAME: butan-2-yl(dibutyl)phosphane
MOLECULAR FORMULA: C12H27P
MOLECULAR WEIGHT: 202.316541
SMILES: CCCCP(CCCC)C(C)CC
Structure:
CAS RN: 1000545-64-1
CAS Name: 2-(6-isoquinolinyl)acetic acid
OPENEYE Name: 2-(6-isoquinolyl)acetic acid
IUPAC Name: 2-isoquinolin-6-ylacetic acid
SYSTEMATIC NAME: 2-isoquinolin-6-ylethanoic acid
MOLECULAR FORMULA: C11H9NO2
MOLECULAR WEIGHT: 187.19466
SMILES: C1=CC2=C(C=CN=C2)C=C1CC(=O)O
Structure:
CAS RN: 68992-12-1
CAS Name: 1-pentene; (E)-2-pentene
OPENEYE Name: pent-1-ene; (E)-pent-2-ene
IUPAC Name: pent-1-ene; (E)-pent-2-ene
SYSTEMATIC NAME: pent-1-ene; (E)-pent-2-ene
MOLECULAR FORMULA: C10H20
MOLECULAR WEIGHT: 140.2658
SMILES: CCCC=C.CC/C=C/C
Structure:
CAS RN: 13520-76-8
CAS Name: oxygen(2-); tungsten; dichloride
OPENEYE Name: oxygen(2-); tungsten; dichloride
IUPAC Name: oxygen(2-); tungsten; dichloride
SYSTEMATIC NAME: oxygen(2-); tungsten; dichloride
MOLECULAR FORMULA: Cl2O2W-6
MOLECULAR WEIGHT: 286.7448
SMILES: [O-2].[O-2].[Cl-].[Cl-].[W]
Structure:
CAS RN: 93843-07-3
CAS Name: phosphorous acid bis(8-methylnonyl) (2-nonylphenyl) ester
OPENEYE Name: bis(8-methylnonyl) (2-nonylphenyl) phosphite
IUPAC Name: bis(8-methylnonyl) (2-nonylphenyl) phosphite
SYSTEMATIC NAME: bis(8-methylnonyl) (2-nonylphenyl) phosphite
MOLECULAR FORMULA: C35H65O3P
MOLECULAR WEIGHT: 564.862561
SMILES: CCCCCCCCCC1=CC=CC=C1OP(OCCCCCCCC(C)C)OCCCCCCCC(C)C
Structure:
CAS RN: 310466-38-7
CAS Name: 4-fluoro-1-benzothiophene
OPENEYE Name: 4-fluorobenzothiophene
IUPAC Name: 4-fluoro-1-benzothiophene
SYSTEMATIC NAME: 4-fluoranyl-1-benzothiophene
MOLECULAR FORMULA: C8H5FS
MOLECULAR WEIGHT: 152.188703
SMILES: C1=CC(=C2C=CSC2=C1)F
Structure:
CAS RN: 20438-17-9
CAS Name: 6H-pyrrolo[3,4-d]pyrimidine
OPENEYE Name: 6H-pyrrolo[3,4-d]pyrimidine
IUPAC Name: 6H-pyrrolo[3,4-d]pyrimidine
SYSTEMATIC NAME: 6H-pyrrolo[3,4-d]pyrimidine
MOLECULAR FORMULA: C6H5N3
MOLECULAR WEIGHT: 119.124
SMILES: C1=C2C=NC=NC2=CN1
Structure:
CAS RN: 7512-12-1
CAS Name: 2,2-diphenyl-1-pentanamine hydrochloride
OPENEYE Name: 2,2-diphenylpentan-1-amine hydrochloride
IUPAC Name: 2,2-diphenylpentan-1-amine hydrochloride
SYSTEMATIC NAME: 2,2-diphenylpentan-1-amine hydrochloride
MOLECULAR FORMULA: C17H22ClN
MOLECULAR WEIGHT: 275.81628
SMILES: CCCC(CN)(C1=CC=CC=C1)C2=CC=CC=C2.Cl
Structure:
CAS RN: 185915-33-7
CAS Name: (2E)-2-[hydroxy-[4-(trifluoromethyl)anilino]methylidene]-3-oxo-6-heptynenitrile
OPENEYE Name: (2E)-2-[hydroxy-[4-(trifluoromethyl)anilino]methylene]-3-oxo-hept-6-ynenitrile
IUPAC Name: (2E)-2-[hydroxy-[4-(trifluoromethyl)anilino]methylidene]-3-oxohept-6-ynenitrile
SYSTEMATIC NAME: (2E)-3-oxidanylidene-2-[oxidanyl-[[4-(trifluoromethyl)phenyl]amino]methylidene]hept-6-ynenitrile
MOLECULAR FORMULA: C15H11F3N2O2
MOLECULAR WEIGHT: 308.25525
SMILES: C#CCCC(=O)/C(=C(\NC1=CC=C(C=C1)C(F)(F)F)/O)/C#N
Structure:
CAS RN: 152418-67-2
CAS Name: (2E)-2-[hydroxy-[4-(trifluoromethyl)anilino]methylidene]-3-oxo-6-heptynenitrile
OPENEYE Name: (2E)-2-[hydroxy-[4-(trifluoromethyl)anilino]methylene]-3-oxo-hept-6-ynenitrile
IUPAC Name: (2E)-2-[hydroxy-[4-(trifluoromethyl)anilino]methylidene]-3-oxohept-6-ynenitrile
SYSTEMATIC NAME: (2E)-3-oxidanylidene-2-[oxidanyl-[[4-(trifluoromethyl)phenyl]amino]methylidene]hept-6-ynenitrile
MOLECULAR FORMULA: C15H11F3N2O2
MOLECULAR WEIGHT: 308.25525
SMILES: C#CCCC(=O)/C(=C(\NC1=CC=C(C=C1)C(F)(F)F)/O)/C#N
Structure:
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