CAS RN: 49561-88-8
CAS Name: carbonochloridic acid (3-tert-butylphenyl) ester
OPENEYE Name: (3-tert-butylphenyl) carbonochloridate
IUPAC Name: (3-tert-butylphenyl) carbonochloridate
SYSTEMATIC NAME: (3-tert-butylphenyl) carbonochloridate
MOLECULAR FORMULA: C11H13ClO2
MOLECULAR WEIGHT: 212.67272
SMILES: CC(C)(C)C1=CC(=CC=C1)OC(=O)Cl
Structure:
CAS RN: 48150-45-4
CAS Name: [3-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl]boronic acid
OPENEYE Name: [3-(2-methylprop-2-enoylamino)phenyl]boronic acid
IUPAC Name: [3-(2-methylprop-2-enoylamino)phenyl]boronic acid
SYSTEMATIC NAME: [3-(2-methylprop-2-enoylamino)phenyl]boronic acid
MOLECULAR FORMULA: C10H12BNO3
MOLECULAR WEIGHT: 205.01818
SMILES: B(C1=CC(=CC=C1)NC(=O)C(=C)C)(O)O
Structure:
CAS RN: 48140-98-3
CAS Name: 3,4-dibromocyclohexane-1,2-dicarboxylic acid
OPENEYE Name: 3,4-dibromocyclohexane-1,2-dicarboxylic acid
IUPAC Name: 3,4-dibromocyclohexane-1,2-dicarboxylic acid
SYSTEMATIC NAME: 3,4-bis(bromanyl)cyclohexane-1,2-dicarboxylic acid
MOLECULAR FORMULA: C8H10Br2O4
MOLECULAR WEIGHT: 329.9706
SMILES: C1CC(C(C(C1C(=O)O)C(=O)O)Br)Br
Structure:
CAS RN: 39363-62-7
CAS Name: 7a-methyl-4,5,6,7-tetrahydro-3aH-isobenzofuran-1,3-dione
OPENEYE Name: 7a-methyl-4,5,6,7-tetrahydro-3aH-isobenzofuran-1,3-dione
IUPAC Name: 7a-methyl-4,5,6,7-tetrahydro-3aH-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 7a-methyl-4,5,6,7-tetrahydro-3aH-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C9H12O3
MOLECULAR WEIGHT: 168.18978
SMILES: CC12CCCCC1C(=O)OC2=O
Structure:
CAS RN: 454184-09-9
CAS Name: 7a-methyl-4,5,6,7-tetrahydro-3aH-isobenzofuran-1,3-dione
OPENEYE Name: 7a-methyl-4,5,6,7-tetrahydro-3aH-isobenzofuran-1,3-dione
IUPAC Name: 7a-methyl-4,5,6,7-tetrahydro-3aH-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 7a-methyl-4,5,6,7-tetrahydro-3aH-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C9H12O3
MOLECULAR WEIGHT: 168.18978
SMILES: CC12CCCCC1C(=O)OC2=O
Structure:
CAS RN: 48122-14-1
CAS Name: 7a-methyl-4,5,6,7-tetrahydro-3aH-isobenzofuran-1,3-dione
OPENEYE Name: 7a-methyl-4,5,6,7-tetrahydro-3aH-isobenzofuran-1,3-dione
IUPAC Name: 7a-methyl-4,5,6,7-tetrahydro-3aH-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 7a-methyl-4,5,6,7-tetrahydro-3aH-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C9H12O3
MOLECULAR WEIGHT: 168.18978
SMILES: CC12CCCCC1C(=O)OC2=O
Structure:
CAS RN: 86403-41-0
CAS Name: 7a-methyl-4,5,6,7-tetrahydro-3aH-isobenzofuran-1,3-dione
OPENEYE Name: 7a-methyl-4,5,6,7-tetrahydro-3aH-isobenzofuran-1,3-dione
IUPAC Name: 7a-methyl-4,5,6,7-tetrahydro-3aH-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 7a-methyl-4,5,6,7-tetrahydro-3aH-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C9H12O3
MOLECULAR WEIGHT: 168.18978
SMILES: CC12CCCCC1C(=O)OC2=O
Structure:
CAS RN: 95032-44-3
CAS Name: 7a-methyl-4,5,6,7-tetrahydro-3aH-isobenzofuran-1,3-dione
OPENEYE Name: 7a-methyl-4,5,6,7-tetrahydro-3aH-isobenzofuran-1,3-dione
IUPAC Name: 7a-methyl-4,5,6,7-tetrahydro-3aH-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 7a-methyl-4,5,6,7-tetrahydro-3aH-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C9H12O3
MOLECULAR WEIGHT: 168.18978
SMILES: CC12CCCCC1C(=O)OC2=O
Structure:
CAS RN: 48077-86-7
CAS Name: 2-methyl-2-propenoic acid 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heneicosafluoroundecyl ester
OPENEYE Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecyl 2-methylprop-2-enoate
IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosakis(fluoranyl)undecyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C15H7F21O2
MOLECULAR WEIGHT: 618.181347
SMILES: CC(=C)C(=O)OCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 48077-33-4
CAS Name: 2-methyl-2-propenoic acid 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl ester
OPENEYE Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl 2-methylprop-2-enoate
IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecakis(fluoranyl)nonyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C13H7F17O2
MOLECULAR WEIGHT: 518.166334
SMILES: CC(=C)C(=O)OCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 48076-79-5
CAS Name: N-[3-(2-aminoethylamino)propyl]octadecanamide
OPENEYE Name: N-[3-(2-aminoethylamino)propyl]octadecanamide
IUPAC Name: N-[3-(2-aminoethylamino)propyl]octadecanamide
SYSTEMATIC NAME: N-[3-(2-azanylethylamino)propyl]octadecanamide
MOLECULAR FORMULA: C23H49N3O
MOLECULAR WEIGHT: 383.65466
SMILES: CCCCCCCCCCCCCCCCCC(=O)NCCCNCCN
Structure:
CAS RN: 48076-44-4
CAS Name: 2-methyl-2-propenoic acid 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl ester
OPENEYE Name: 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl 2-methylprop-2-enoate
IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C11H7F13O2
MOLECULAR WEIGHT: 418.151322
SMILES: CC(=C)C(=O)OCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 48067-72-7
CAS Name: 2-propenoic acid 2-[2-(2-methoxyethoxy)ethoxy]ethyl ester
OPENEYE Name: 2-[2-(2-methoxyethoxy)ethoxy]ethyl prop-2-enoate
IUPAC Name: 2-[2-(2-methoxyethoxy)ethoxy]ethyl prop-2-enoate
SYSTEMATIC NAME: 2-[2-(2-methoxyethoxy)ethoxy]ethyl prop-2-enoate
MOLECULAR FORMULA: C10H18O5
MOLECULAR WEIGHT: 218.24692
SMILES: COCCOCCOCCOC(=O)C=C
Structure:
CAS RN: 48052-66-0
CAS Name: trimethyl-[(1-oxoprop-2-enylamino)methyl]ammonium chloride
OPENEYE Name: trimethyl-[(prop-2-enoylamino)methyl]ammonium chloride
IUPAC Name: trimethyl-[(prop-2-enoylamino)methyl]azanium chloride
SYSTEMATIC NAME: trimethyl-[(prop-2-enoylamino)methyl]azanium chloride
MOLECULAR FORMULA: C7H15ClN2O
MOLECULAR WEIGHT: 178.6598
SMILES: C[N+](C)(C)CNC(=O)C=C.[Cl-]
Structure:
CAS RN: 65505-04-6
CAS Name: trimethyl-[(1-oxoprop-2-enylamino)methyl]ammonium chloride
OPENEYE Name: trimethyl-[(prop-2-enoylamino)methyl]ammonium chloride
IUPAC Name: trimethyl-[(prop-2-enoylamino)methyl]azanium chloride
SYSTEMATIC NAME: trimethyl-[(prop-2-enoylamino)methyl]azanium chloride
MOLECULAR FORMULA: C7H15ClN2O
MOLECULAR WEIGHT: 178.6598
SMILES: C[N+](C)(C)CNC(=O)C=C.[Cl-]
Structure:
CAS RN: 47688-63-1
CAS Name: 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-dodecylpyrrolidine-2,5-dione
OPENEYE Name: 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-dodecyl-pyrrolidine-2,5-dione
IUPAC Name: 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-dodecylpyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-[2-[2-[2-(2-azanylethylamino)ethylamino]ethylamino]ethyl]-3-dodecyl-pyrrolidine-2,5-dione
MOLECULAR FORMULA: C24H49N5O2
MOLECULAR WEIGHT: 439.67816
SMILES: CCCCCCCCCCCCC1CC(=O)N(C1=O)CCNCCNCCNCCN
Structure:
CAS RN: 47486-75-9
CAS Name: 3,7-ditert-butylnaphthalene-1,5-disulfonic acid
OPENEYE Name: 3,7-ditert-butylnaphthalene-1,5-disulfonic acid
IUPAC Name: 3,7-ditert-butylnaphthalene-1,5-disulfonic acid
SYSTEMATIC NAME: 3,7-ditert-butylnaphthalene-1,5-disulfonic acid
MOLECULAR FORMULA: C18H24O6S2
MOLECULAR WEIGHT: 400.50956
SMILES: CC(C)(C)C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)O)C(C)(C)C)S(=O)(=O)O
Structure:
CAS RN: 47458-36-6
CAS Name: N-[3-(benzenesulfonylsulfamoyl)phenyl]-2-methyl-2-propenamide
OPENEYE Name: N-[3-(benzenesulfonylsulfamoyl)phenyl]-2-methyl-prop-2-enamide
IUPAC Name: N-[3-(benzenesulfonylsulfamoyl)phenyl]-2-methylprop-2-enamide
SYSTEMATIC NAME: 2-methyl-N-[3-(phenylsulfonylsulfamoyl)phenyl]prop-2-enamide
MOLECULAR FORMULA: C16H16N2O5S2
MOLECULAR WEIGHT: 380.43864
SMILES: CC(=C)C(=O)NC1=CC(=CC=C1)S(=O)(=O)NS(=O)(=O)C2=CC=CC=C2
Structure:
CAS RN: 47034-01-5
CAS Name: diethyl-[2-(2-methyl-1-oxoprop-2-enoxy)ethyl]-(phenylmethyl)ammonium chloride
OPENEYE Name: benzyl-diethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium chloride
IUPAC Name: benzyl-diethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
SYSTEMATIC NAME: diethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-(phenylmethyl)azanium chloride
MOLECULAR FORMULA: C17H26ClNO2
MOLECULAR WEIGHT: 311.84684
SMILES: CC[N+](CC)(CCOC(=O)C(=C)C)CC1=CC=CC=C1.[Cl-]
Structure:
CAS RN: 46495-66-3
CAS Name: 1-chloro-2,3,5-trifluoro-4,6-diisocyanatobenzene
OPENEYE Name: 1-chloro-2,3,5-trifluoro-4,6-diisocyanato-benzene
IUPAC Name: 1-chloro-2,3,5-trifluoro-4,6-diisocyanatobenzene
SYSTEMATIC NAME: 1-chloranyl-2,3,5-tris(fluoranyl)-4,6-diisocyanato-benzene
MOLECULAR FORMULA: C8ClF3N2O2
MOLECULAR WEIGHT: 248.54601
SMILES: C(=NC1=C(C(=C(C(=C1F)F)Cl)N=C=O)F)=O
Structure:
CAS RN: 46383-55-5
CAS Name: 5-oxo-1-(2,2,2-trifluoro-1-oxoethyl)-2-pyrrolidinecarboxylic acid
OPENEYE Name: 5-oxo-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
IUPAC Name: 5-oxo-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 5-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C7H6F3NO4
MOLECULAR WEIGHT: 225.12205
SMILES: C1CC(=O)N(C1C(=O)O)C(=O)C(F)(F)F
Structure:
CAS RN: 46319-71-5
CAS Name: acetic acid 3-phenylbutyl ester
OPENEYE Name: 3-phenylbutyl acetate
IUPAC Name: 3-phenylbutyl acetate
SYSTEMATIC NAME: 3-phenylbutyl ethanoate
MOLECULAR FORMULA: C12H16O2
MOLECULAR WEIGHT: 192.25424
SMILES: CC(CCOC(=O)C)C1=CC=CC=C1
Structure:
CAS RN: 46038-83-9
CAS Name: N-ethoxy-N-ethylaniline
OPENEYE Name: N-ethoxy-N-ethyl-aniline
IUPAC Name: N-ethoxy-N-ethylaniline
SYSTEMATIC NAME: N-ethoxy-N-ethyl-aniline
MOLECULAR FORMULA: C10H15NO
MOLECULAR WEIGHT: 165.2322
SMILES: CCN(C1=CC=CC=C1)OCC
Structure:
CAS RN: 46034-20-2
CAS Name: 2-methyl-1-(1-piperidinyl)-1-butanone
OPENEYE Name: 2-methyl-1-(1-piperidyl)butan-1-one
IUPAC Name: 2-methyl-1-piperidin-1-ylbutan-1-one
SYSTEMATIC NAME: 2-methyl-1-piperidin-1-yl-butan-1-one
MOLECULAR FORMULA: C10H19NO
MOLECULAR WEIGHT: 169.26396
SMILES: CCC(C)C(=O)N1CCCCC1
Structure:
CAS RN: 45977-24-0
CAS Name: 4-methyl-4-(2-oxiranylmethyl)morpholin-4-ium chloride
OPENEYE Name: 4-methyl-4-(oxiran-2-ylmethyl)morpholin-4-ium chloride
IUPAC Name: 4-methyl-4-(oxiran-2-ylmethyl)morpholin-4-ium chloride
SYSTEMATIC NAME: 4-methyl-4-(oxiran-2-ylmethyl)morpholin-4-ium chloride
MOLECULAR FORMULA: C8H16ClNO2
MOLECULAR WEIGHT: 193.67114
SMILES: C[N+]1(CCOCC1)CC2CO2.[Cl-]
Structure:
CAS RN: 45319-57-1
CAS Name: methyl-dioctadecyl-(3-sulfopropyl)ammonium hydroxide
OPENEYE Name: methyl-dioctadecyl-(3-sulfopropyl)ammonium hydroxide
IUPAC Name: methyl-dioctadecyl-(3-sulfopropyl)azanium hydroxide
SYSTEMATIC NAME: methyl-dioctadecyl-(3-sulfopropyl)azanium hydroxide
MOLECULAR FORMULA: C40H85NO4S
MOLECULAR WEIGHT: 676.1722
SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CCCS(=O)(=O)O.[OH-]
Structure:
CAS RN: 45302-49-6
CAS Name: 2-methyl-2-propenoic acid tetracosyl ester
OPENEYE Name: tetracosyl 2-methylprop-2-enoate
IUPAC Name: tetracosyl 2-methylprop-2-enoate
SYSTEMATIC NAME: tetracosyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C28H54O2
MOLECULAR WEIGHT: 422.72716
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C
Structure:
CAS RN: 45296-31-9
CAS Name: 2-methyl-2-propenoic acid heneicosyl ester
OPENEYE Name: henicosyl 2-methylprop-2-enoate
IUPAC Name: henicosyl 2-methylprop-2-enoate
SYSTEMATIC NAME: henicosyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C25H48O2
MOLECULAR WEIGHT: 380.64742
SMILES: CCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C
Structure:
CAS RN: 45294-21-1
CAS Name: 2-propenoic acid heneicosyl ester
OPENEYE Name: henicosyl prop-2-enoate
IUPAC Name: henicosyl prop-2-enoate
SYSTEMATIC NAME: henicosyl prop-2-enoate
MOLECULAR FORMULA: C24H46O2
MOLECULAR WEIGHT: 366.62084
SMILES: CCCCCCCCCCCCCCCCCCCCCOC(=O)C=C
Structure:
CAS RN: 45244-49-3
CAS Name: N-[2-(2-aminoethylamino)ethyl]dodecanamide
OPENEYE Name: N-[2-(2-aminoethylamino)ethyl]dodecanamide
IUPAC Name: N-[2-(2-aminoethylamino)ethyl]dodecanamide
SYSTEMATIC NAME: N-[2-(2-azanylethylamino)ethyl]dodecanamide
MOLECULAR FORMULA: C16H35N3O
MOLECULAR WEIGHT: 285.4686
SMILES: CCCCCCCCCCCC(=O)NCCNCCN
Structure:
CAS RN: 45236-96-2
CAS Name: tetradecanoic acid prop-2-enyl ester
OPENEYE Name: allyl tetradecanoate
IUPAC Name: prop-2-enyl tetradecanoate
SYSTEMATIC NAME: prop-2-enyl tetradecanoate
MOLECULAR FORMULA: C17H32O2
MOLECULAR WEIGHT: 268.43478
SMILES: CCCCCCCCCCCCCC(=O)OCC=C
Structure:
CAS RN: 45189-99-9
CAS Name: acetic acid [diacetyloxy(3-mercaptopropyl)silyl] ester
OPENEYE Name: [diacetoxy(3-sulfanylpropyl)silyl] acetate
IUPAC Name: [diacetyloxy(3-sulfanylpropyl)silyl] acetate
SYSTEMATIC NAME: [diacetyloxy(3-sulfanylpropyl)silyl] ethanoate
MOLECULAR FORMULA: C9H16O6SSi
MOLECULAR WEIGHT: 280.37024
SMILES: CC(=O)O[Si](CCCS)(OC(=O)C)OC(=O)C
Structure:
CAS RN: 45180-95-8
CAS Name: 2-propenoic acid 2-[2-(2-ethoxyethoxy)ethoxy]ethyl ester
OPENEYE Name: 2-[2-(2-ethoxyethoxy)ethoxy]ethyl prop-2-enoate
IUPAC Name: 2-[2-(2-ethoxyethoxy)ethoxy]ethyl prop-2-enoate
SYSTEMATIC NAME: 2-[2-(2-ethoxyethoxy)ethoxy]ethyl prop-2-enoate
MOLECULAR FORMULA: C11H20O5
MOLECULAR WEIGHT: 232.2735
SMILES: CCOCCOCCOCCOC(=O)C=C
Structure:
CAS RN: 45180-55-0
CAS Name: 3-mercaptopropanoic acid decyl ester
OPENEYE Name: decyl 3-sulfanylpropanoate
IUPAC Name: decyl 3-sulfanylpropanoate
SYSTEMATIC NAME: decyl 3-sulfanylpropanoate
MOLECULAR FORMULA: C13H26O2S
MOLECULAR WEIGHT: 246.40934
SMILES: CCCCCCCCCCOC(=O)CCS
Structure:
CAS RN: 45127-97-7
CAS Name: 2-methyl-2-propenoic acid 2-(2-ethoxyethoxy)ethyl ester
OPENEYE Name: 2-(2-ethoxyethoxy)ethyl 2-methylprop-2-enoate
IUPAC Name: 2-(2-ethoxyethoxy)ethyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2-(2-ethoxyethoxy)ethyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C10H18O4
MOLECULAR WEIGHT: 202.24752
SMILES: CCOCCOCCOC(=O)C(=C)C
Structure:
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