CAS RN: 69791-81-7
CAS Name: 5,6,7-trimethoxy-2-naphthalenecarboxylic acid
OPENEYE Name: 5,6,7-trimethoxynaphthalene-2-carboxylic acid
IUPAC Name: 5,6,7-trimethoxynaphthalene-2-carboxylic acid
SYSTEMATIC NAME: 5,6,7-trimethoxynaphthalene-2-carboxylic acid
MOLECULAR FORMULA: C14H14O5
MOLECULAR WEIGHT: 262.25796
SMILES: COC1=C(C(=C2C=CC(=CC2=C1)C(=O)O)OC)OC
Structure:
CAS RN: 69704-27-4
CAS Name: 1,4-dipropoxy-2-butyne
OPENEYE Name: 1,4-dipropoxybut-2-yne
IUPAC Name: 1,4-dipropoxybut-2-yne
SYSTEMATIC NAME: 1,4-dipropoxybut-2-yne
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: CCCOCC#CCOCCC
Structure:
CAS RN: 69704-26-3
CAS Name: 4-propoxy-2-butyn-1-ol
OPENEYE Name: 4-propoxybut-2-yn-1-ol
IUPAC Name: 4-propoxybut-2-yn-1-ol
SYSTEMATIC NAME: 4-propoxybut-2-yn-1-ol
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: CCCOCC#CCO
Structure:
CAS RN: 69697-74-1
CAS Name: 1-methoxy-2-methylcyclohexa-1,4-diene
OPENEYE Name: 1-methoxy-2-methyl-cyclohexa-1,4-diene
IUPAC Name: 1-methoxy-2-methylcyclohexa-1,4-diene
SYSTEMATIC NAME: 1-methoxy-2-methyl-cyclohexa-1,4-diene
MOLECULAR FORMULA: C8H12O
MOLECULAR WEIGHT: 124.18028
SMILES: CC1=C(CC=CC1)OC
Structure:
CAS RN: 69673-89-8
CAS Name: 2-ethyl-2-hydroxy-1-(4-methylphenyl)-1-hexanone
OPENEYE Name: 2-ethyl-2-hydroxy-1-(p-tolyl)hexan-1-one
IUPAC Name: 2-ethyl-2-hydroxy-1-(4-methylphenyl)hexan-1-one
SYSTEMATIC NAME: 2-ethyl-1-(4-methylphenyl)-2-oxidanyl-hexan-1-one
MOLECULAR FORMULA: C15H22O2
MOLECULAR WEIGHT: 234.33398
SMILES: CCCCC(CC)(C(=O)C1=CC=C(C=C1)C)O
Structure:
CAS RN: 69661-30-9
CAS Name: 2,3,5-trifluoro-4-(1,1,2,2,2-pentafluoroethyl)-2,3,4,5-tetrakis(trifluoromethyl)oxolane
OPENEYE Name: 2,3,5-trifluoro-4-(1,1,2,2,2-pentafluoroethyl)-2,3,4,5-tetrakis(trifluoromethyl)tetrahydrofuran
IUPAC Name: 2,3,5-trifluoro-4-(1,1,2,2,2-pentafluoroethyl)-2,3,4,5-tetrakis(trifluoromethyl)oxolane
SYSTEMATIC NAME: 2,3,5-tris(fluoranyl)-4-[1,1,2,2,2-pentakis(fluoranyl)ethyl]-2,3,4,5-tetrakis(trifluoromethyl)oxolane
MOLECULAR FORMULA: C10F20O
MOLECULAR WEIGHT: 516.074464
SMILES: C1(C(C(OC1(C(F)(F)F)F)(C(F)(F)F)F)(C(F)(F)F)F)(C(C(F)(F)F)(F)F)C(F)(F)F
Structure:
CAS RN: 69642-69-9
CAS Name: N-(3,4-dichlorophenyl)-N-[2-(methylamino)cyclopentyl]propanamide
OPENEYE Name: N-(3,4-dichlorophenyl)-N-[2-(methylamino)cyclopentyl]propanamide
IUPAC Name: N-(3,4-dichlorophenyl)-N-[2-(methylamino)cyclopentyl]propanamide
SYSTEMATIC NAME: N-(3,4-dichlorophenyl)-N-[2-(methylamino)cyclopentyl]propanamide
MOLECULAR FORMULA: C15H20Cl2N2O
MOLECULAR WEIGHT: 315.2381
SMILES: CCC(=O)N(C1CCCC1NC)C2=CC(=C(C=C2)Cl)Cl
Structure:
CAS RN: 69636-50-6
CAS Name: 3-chloro-4-methylpyrrole-2,5-dione
OPENEYE Name: 3-chloro-4-methyl-pyrrole-2,5-dione
IUPAC Name: 3-chloro-4-methylpyrrole-2,5-dione
SYSTEMATIC NAME: 3-chloranyl-4-methyl-pyrrole-2,5-dione
MOLECULAR FORMULA: C5H4ClNO2
MOLECULAR WEIGHT: 145.54376
SMILES: CC1=C(C(=O)NC1=O)Cl
Structure:
CAS RN: 69630-21-3
CAS Name: N-[2-[[2-hydroxy-3-(4-phenylmethoxyphenoxy)propyl]amino]ethyl]-4-morpholinecarboxamide
OPENEYE Name: N-[2-[[3-(4-benzyloxyphenoxy)-2-hydroxy-propyl]amino]ethyl]morpholine-4-carboxamide
IUPAC Name: N-[2-[[2-hydroxy-3-(4-phenylmethoxyphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide
SYSTEMATIC NAME: N-[2-[[2-oxidanyl-3-(4-phenylmethoxyphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide
MOLECULAR FORMULA: C23H31N3O5
MOLECULAR WEIGHT: 429.50934
SMILES: C1COCCN1C(=O)NCCNCC(COC2=CC=C(C=C2)OCC3=CC=CC=C3)O
Structure:
CAS RN: 69628-98-4
CAS Name: 1-(2-methoxyethyl)-4-nitrobenzene
OPENEYE Name: 1-(2-methoxyethyl)-4-nitro-benzene
IUPAC Name: 1-(2-methoxyethyl)-4-nitrobenzene
SYSTEMATIC NAME: 1-(2-methoxyethyl)-4-nitro-benzene
MOLECULAR FORMULA: C9H11NO3
MOLECULAR WEIGHT: 181.18854
SMILES: COCCC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 69574-07-8
CAS Name: 3,5-diethyl-4-hydroxybenzaldehyde
OPENEYE Name: 3,5-diethyl-4-hydroxy-benzaldehyde
IUPAC Name: 3,5-diethyl-4-hydroxybenzaldehyde
SYSTEMATIC NAME: 3,5-diethyl-4-oxidanyl-benzaldehyde
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CCC1=CC(=CC(=C1O)CC)C=O
Structure:
CAS RN: 69565-07-7
CAS Name: 2,6-dimethyleneheptanedioic acid diethyl ester
OPENEYE Name: diethyl 2,6-dimethyleneheptanedioate
IUPAC Name: diethyl 2,6-dimethylideneheptanedioate
SYSTEMATIC NAME: diethyl 2,6-dimethylideneheptanedioate
MOLECULAR FORMULA: C13H20O4
MOLECULAR WEIGHT: 240.2955
SMILES: CCOC(=O)C(=C)CCCC(=C)C(=O)OCC
Structure:
CAS RN: 69537-38-8
CAS Name: [2-hydroxy-3-(1-oxodocosoxy)propyl]-trimethylammonium chloride
OPENEYE Name: (3-docosanoyloxy-2-hydroxy-propyl)-trimethyl-ammonium chloride
IUPAC Name: (3-docosanoyloxy-2-hydroxypropyl)-trimethylazanium chloride
SYSTEMATIC NAME: (3-docosanoyloxy-2-oxidanyl-propyl)-trimethyl-azanium chloride
MOLECULAR FORMULA: C28H58ClNO3
MOLECULAR WEIGHT: 492.21802
SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(C[N+](C)(C)C)O.[Cl-]
Structure:
CAS RN: 69519-14-8
CAS Name: 2-[[oxo-(3-phenoxyphenyl)methyl]amino]ethanesulfonic acid
OPENEYE Name: 2-[(3-phenoxybenzoyl)amino]ethanesulfonic acid
IUPAC Name: 2-[(3-phenoxybenzoyl)amino]ethanesulfonic acid
SYSTEMATIC NAME: 2-[(3-phenoxyphenyl)carbonylamino]ethanesulfonic acid
MOLECULAR FORMULA: C15H15NO5S
MOLECULAR WEIGHT: 321.3483
SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)NCCS(=O)(=O)O
Structure:
CAS RN: 69447-76-3
CAS Name: 3-(5-amino-2-methoxyphenyl)propanoic acid
OPENEYE Name: 3-(5-amino-2-methoxy-phenyl)propanoic acid
IUPAC Name: 3-(5-amino-2-methoxyphenyl)propanoic acid
SYSTEMATIC NAME: 3-(5-azanyl-2-methoxy-phenyl)propanoic acid
MOLECULAR FORMULA: C10H13NO3
MOLECULAR WEIGHT: 195.21512
SMILES: COC1=C(C=C(C=C1)N)CCC(=O)O
Structure:
CAS RN: 69418-53-7
CAS Name: 1,2,3,4,5,6,9-heptabromo-9H-fluorene
OPENEYE Name: 1,2,3,4,5,6,9-heptabromo-9H-fluorene
IUPAC Name: 1,2,3,4,5,6,9-heptabromo-9H-fluorene
SYSTEMATIC NAME: 1,2,3,4,5,6,9-heptakis(bromanyl)-9H-fluorene
MOLECULAR FORMULA: C13H3Br7
MOLECULAR WEIGHT: 718.49092
SMILES: C1=CC(=C(C2=C1C(C3=C2C(=C(C(=C3Br)Br)Br)Br)Br)Br)Br
Structure:
CAS RN: 69411-05-8
CAS Name: 3-chloro-5-(trifluoromethyl)aniline
OPENEYE Name: 3-chloro-5-(trifluoromethyl)aniline
IUPAC Name: 3-chloro-5-(trifluoromethyl)aniline
SYSTEMATIC NAME: 3-chloranyl-5-(trifluoromethyl)aniline
MOLECULAR FORMULA: C7H5ClF3N
MOLECULAR WEIGHT: 195.56951
SMILES: C1=C(C=C(C=C1N)Cl)C(F)(F)F
Structure:
CAS RN: 69380-67-2
CAS Name: decane-1,2,9,10-tetrol
OPENEYE Name: decane-1,2,9,10-tetrol
IUPAC Name: decane-1,2,9,10-tetrol
SYSTEMATIC NAME: decane-1,2,9,10-tetrol
MOLECULAR FORMULA: C10H22O4
MOLECULAR WEIGHT: 206.27928
SMILES: C(CCCC(CO)O)CCC(CO)O
Structure:
CAS RN: 69367-45-9
CAS Name: formic acid 1-cyclohex-3-enylmethyl ester
OPENEYE Name: cyclohex-3-en-1-ylmethyl formate
IUPAC Name: cyclohex-3-en-1-ylmethyl formate
SYSTEMATIC NAME: cyclohex-3-en-1-ylmethyl methanoate
MOLECULAR FORMULA: C8H12O2
MOLECULAR WEIGHT: 140.17968
SMILES: C1CC(CC=C1)COC=O
Structure:
CAS RN: 69343-73-3
CAS Name: 3-methyl-2-(3-methylbut-2-enyl)butane-1,3-diol
OPENEYE Name: 3-methyl-2-(3-methylbut-2-enyl)butane-1,3-diol
IUPAC Name: 3-methyl-2-(3-methylbut-2-enyl)butane-1,3-diol
SYSTEMATIC NAME: 3-methyl-2-(3-methylbut-2-enyl)butane-1,3-diol
MOLECULAR FORMULA: C10H20O2
MOLECULAR WEIGHT: 172.2646
SMILES: CC(=CCC(CO)C(C)(C)O)C
Structure:
CAS RN: 69304-83-2
CAS Name: 2-amino-4-[(5-chloro-6-methyl-2-methylsulfonyl-4-pyrimidinyl)amino]benzenesulfonic acid
OPENEYE Name: 2-amino-4-[(5-chloro-6-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]benzenesulfonic acid
IUPAC Name: 2-amino-4-[(5-chloro-6-methyl-2-methylsulfonylpyrimidin-4-yl)amino]benzenesulfonic acid
SYSTEMATIC NAME: 2-azanyl-4-[(5-chloranyl-6-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]benzenesulfonic acid
MOLECULAR FORMULA: C12H13ClN4O5S2
MOLECULAR WEIGHT: 392.83842
SMILES: CC1=C(C(=NC(=N1)S(=O)(=O)C)NC2=CC(=C(C=C2)S(=O)(=O)O)N)Cl
Structure:
CAS RN: 69300-15-8
CAS Name: 2-methyldecanenitrile
OPENEYE Name: 2-methyldecanenitrile
IUPAC Name: 2-methyldecanenitrile
SYSTEMATIC NAME: 2-methyldecanenitrile
MOLECULAR FORMULA: C11H21N
MOLECULAR WEIGHT: 167.29114
SMILES: CCCCCCCCC(C)C#N
Structure:
CAS RN: 69275-02-1
CAS Name: hexadecanoic acid 2-hexyldecyl ester
OPENEYE Name: 2-hexyldecyl hexadecanoate
IUPAC Name: 2-hexyldecyl hexadecanoate
SYSTEMATIC NAME: 2-hexyldecyl hexadecanoate
MOLECULAR FORMULA: C32H64O2
MOLECULAR WEIGHT: 480.84936
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(CCCCCC)CCCCCCCC
Structure:
CAS RN: 69251-28-1
CAS Name: 1-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone
OPENEYE Name: 1-(7-methoxy-1,1,4,4-tetramethyl-tetralin-6-yl)ethanone
IUPAC Name: 1-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone
SYSTEMATIC NAME: 1-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone
MOLECULAR FORMULA: C17H24O2
MOLECULAR WEIGHT: 260.37126
SMILES: CC(=O)C1=CC2=C(C=C1OC)C(CCC2(C)C)(C)C
Structure:
CAS RN: 69248-12-0
CAS Name: tetrakis(hydroxymethyl)phosphonium iodide
OPENEYE Name: tetrakis(hydroxymethyl)phosphonium iodide
IUPAC Name: tetrakis(hydroxymethyl)phosphanium iodide
SYSTEMATIC NAME: tetrakis(hydroxymethyl)phosphanium iodide
MOLECULAR FORMULA: C4H12IO4P
MOLECULAR WEIGHT: 282.013911
SMILES: C(O)[P+](CO)(CO)CO.[I-]
Structure:
CAS RN: 69222-05-5
CAS Name: 6-nonyn-1-ol
OPENEYE Name: non-6-yn-1-ol
IUPAC Name: non-6-yn-1-ol
SYSTEMATIC NAME: non-6-yn-1-ol
MOLECULAR FORMULA: C9H16O
MOLECULAR WEIGHT: 140.22274
SMILES: CCC#CCCCCCO
Structure:
CAS RN: 69125-07-1
CAS Name: ethyl-dimethyl-[3-(1-oxododecylamino)propyl]ammonium; ethyl sulfate
OPENEYE Name: 3-(dodecanoylamino)propyl-ethyl-dimethyl-ammonium; ethyl sulfate
IUPAC Name: 3-(dodecanoylamino)propyl-ethyl-dimethylazanium; ethyl sulfate
SYSTEMATIC NAME: 3-(dodecanoylamino)propyl-ethyl-dimethyl-azanium; ethyl sulfate
MOLECULAR FORMULA: C21H46N2O5S
MOLECULAR WEIGHT: 438.66534
SMILES: CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-]
Structure:
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