CAS RN: 68442-05-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H48
MOLECULAR WEIGHT: 588.86262
SMILES: CC1=CC=CC=C1C=C.CC(=C)C1=CC=CC=C1.C=CC1=CC=CC=C1.C1C=CC2C1C3CC2C=C3.C1C=CC2=CC=CC=C21
Structure:
CAS RN: 68441-87-2
CAS Name: furan-2,5-dione; 2-methylheptane; styrene
OPENEYE Name: furan-2,5-dione; 2-methylheptane; styrene
IUPAC Name: furan-2,5-dione; 2-methylheptane; styrene
SYSTEMATIC NAME: ethenylbenzene; furan-2,5-dione; 2-methylheptane
MOLECULAR FORMULA: C20H27O3
MOLECULAR WEIGHT: 315.42658
SMILES: CC(C)CCCC[CH2].C=CC1=CC=CC=C1.C1=CC(=O)OC1=O
Structure:
CAS RN: 68441-83-8
CAS Name: formaldehyde; 1-phenylethanone
OPENEYE Name: formaldehyde; 1-phenylethanone
IUPAC Name: formaldehyde; 1-phenylethanone
SYSTEMATIC NAME: methanal; 1-phenylethanone
MOLECULAR FORMULA: C9H10O2
MOLECULAR WEIGHT: 150.1745
SMILES: CC(=O)C1=CC=CC=C1.C=O
Structure:
CAS RN: 68441-65-6
CAS Name: buta-1,3-diene; 1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene
OPENEYE Name: buta-1,3-diene; 1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene
IUPAC Name: buta-1,3-diene; 1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene
SYSTEMATIC NAME: buta-1,3-diene; 1,2,3,4,5,5-hexakis(chloranyl)cyclopenta-1,3-diene
MOLECULAR FORMULA: C9H6Cl6
MOLECULAR WEIGHT: 326.86194
SMILES: C=CC=C.C1(=C(C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl
Structure:
CAS RN: 68441-33-8
CAS Name: sodium; 1,2-bis(ethenyl)benzene; styrene
OPENEYE Name: sodium; 1,2-divinylbenzene; styrene
IUPAC Name: sodium; 1,2-bis(ethenyl)benzene; styrene
SYSTEMATIC NAME: sodium; 1,2-bis(ethenyl)benzene; ethenylbenzene
MOLECULAR FORMULA: C18H18Na+
MOLECULAR WEIGHT: 257.32529
SMILES: C=CC1=CC=CC=C1.C=CC1=CC=CC=C1C=C.[Na+]
Structure:
CAS RN: 68441-30-5
CAS Name: 1,2-bis(ethenyl)benzene; N,N-dimethylmethanamine; styrene
OPENEYE Name: N,N-dimethylmethanamine; 1,2-divinylbenzene; styrene
IUPAC Name: 1,2-bis(ethenyl)benzene; N,N-dimethylmethanamine; styrene
SYSTEMATIC NAME: 1,2-bis(ethenyl)benzene; N,N-dimethylmethanamine; ethenylbenzene
MOLECULAR FORMULA: C21H27N
MOLECULAR WEIGHT: 293.44578
SMILES: CN(C)C.C=CC1=CC=CC=C1.C=CC1=CC=CC=C1C=C
Structure:
CAS RN: 68441-29-2
CAS Name: 1,3-bis(ethenyl)benzene; N-methylmethanamine; styrene
OPENEYE Name: 1,3-divinylbenzene; N-methylmethanamine; styrene
IUPAC Name: 1,3-bis(ethenyl)benzene; N-methylmethanamine; styrene
SYSTEMATIC NAME: 1,3-bis(ethenyl)benzene; ethenylbenzene; N-methylmethanamine
MOLECULAR FORMULA: C20H25N
MOLECULAR WEIGHT: 279.4192
SMILES: CNC.C=CC1=CC=CC=C1.C=CC1=CC(=CC=C1)C=C
Structure:
CAS RN: 68954-52-9
CAS Name: 1,3-bis(ethenyl)benzene; N-methylmethanamine; styrene
OPENEYE Name: 1,3-divinylbenzene; N-methylmethanamine; styrene
IUPAC Name: 1,3-bis(ethenyl)benzene; N-methylmethanamine; styrene
SYSTEMATIC NAME: 1,3-bis(ethenyl)benzene; ethenylbenzene; N-methylmethanamine
MOLECULAR FORMULA: C20H25N
MOLECULAR WEIGHT: 279.4192
SMILES: CNC.C=CC1=CC=CC=C1.C=CC1=CC(=CC=C1)C=C
Structure:
CAS RN: 68441-27-0
CAS Name: 1,2-bis(ethenyl)benzene; 2-(dimethylamino)ethanol; styrene
OPENEYE Name: 2-(dimethylamino)ethanol; 1,2-divinylbenzene; styrene
IUPAC Name: 1,2-bis(ethenyl)benzene; 2-(dimethylamino)ethanol; styrene
SYSTEMATIC NAME: 1,2-bis(ethenyl)benzene; 2-(dimethylamino)ethanol; ethenylbenzene
MOLECULAR FORMULA: C22H29NO
MOLECULAR WEIGHT: 323.47176
SMILES: CN(C)CCO.C=CC1=CC=CC=C1.C=CC1=CC=CC=C1C=C
Structure:
CAS RN: 68441-28-1
CAS Name: 1,2-bis(ethenyl)benzene; 2-(dimethylamino)ethanol; styrene
OPENEYE Name: 2-(dimethylamino)ethanol; 1,2-divinylbenzene; styrene
IUPAC Name: 1,2-bis(ethenyl)benzene; 2-(dimethylamino)ethanol; styrene
SYSTEMATIC NAME: 1,2-bis(ethenyl)benzene; 2-(dimethylamino)ethanol; ethenylbenzene
MOLECULAR FORMULA: C22H29NO
MOLECULAR WEIGHT: 323.47176
SMILES: CN(C)CCO.C=CC1=CC=CC=C1.C=CC1=CC=CC=C1C=C
Structure:
CAS RN: 68036-95-3
CAS Name: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methyloxirane; oxirane
OPENEYE Name: 2-(chloromethyl)oxirane; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; 2-methyloxirane; oxirane
IUPAC Name: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methyloxirane; oxirane
SYSTEMATIC NAME: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methyloxirane; oxirane
MOLECULAR FORMULA: C23H31ClO5
MOLECULAR WEIGHT: 422.94224
SMILES: CC1CO1.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1CO1.C1C(O1)CCl
Structure:
CAS RN: 68123-18-2
CAS Name: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methyloxirane; oxirane
OPENEYE Name: 2-(chloromethyl)oxirane; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; 2-methyloxirane; oxirane
IUPAC Name: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methyloxirane; oxirane
SYSTEMATIC NAME: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methyloxirane; oxirane
MOLECULAR FORMULA: C23H31ClO5
MOLECULAR WEIGHT: 422.94224
SMILES: CC1CO1.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1CO1.C1C(O1)CCl
Structure:
CAS RN: 68036-92-0
CAS Name: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methyloxirane; oxirane; propane-1,2,3-triol
OPENEYE Name: 2-(chloromethyl)oxirane; glycerol; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; 2-methyloxirane; oxirane
IUPAC Name: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methyloxirane; oxirane; propane-1,2,3-triol
SYSTEMATIC NAME: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methyloxirane; oxirane; propane-1,2,3-triol
MOLECULAR FORMULA: C26H39ClO8
MOLECULAR WEIGHT: 515.03606
SMILES: CC1CO1.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1CO1.C1C(O1)CCl.C(C(CO)O)O
Structure:
CAS RN: 68035-71-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H46CuN10O12S2
MOLECULAR WEIGHT: 1034.57184
SMILES: [H+].[H+].C1=CC=C2C(=C1)C3=NC4=C5C=CC(=CC5=C([N-]4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=C(C=CC=C9S(=O)(=O)[O-])C(=N8)N=C2[N-]3)S(=O)(=O)[O-].C(CO)N(CCO)CCO.C(CO)N(CCO)CCO.[Cu+2]
Structure:
CAS RN: 68025-39-8
CAS Name: pentaammonium; cobalt(2+); hydron; N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
OPENEYE Name: pentaammonium; cobaltous; hydron; N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
IUPAC Name: pentaazanium; cobalt(2+); hydron; N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
SYSTEMATIC NAME: pentaazanium; cobalt(2+); hydron; N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
MOLECULAR FORMULA: C6H33CoN7O12P4
MOLECULAR WEIGHT: 578.194164
SMILES: [H+].C(CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[Co+2]
Structure:
CAS RN: 18283-82-4
CAS Name: ammonium; 2-hydroxypropane-1,2,3-tricarboxylate; nickel(2+)
OPENEYE Name: ammonium nickelous citrate
IUPAC Name: azanium; 2-hydroxypropane-1,2,3-tricarboxylate; nickel(2+)
SYSTEMATIC NAME: azanium; nickel(2+); 2-oxidanylpropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C6H9NNiO7
MOLECULAR WEIGHT: 265.83156
SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[NH4+].[Ni+2]
Structure:
CAS RN: 68025-13-8
CAS Name: ammonium; 2-hydroxypropane-1,2,3-tricarboxylate; nickel(2+)
OPENEYE Name: ammonium nickelous citrate
IUPAC Name: azanium; 2-hydroxypropane-1,2,3-tricarboxylate; nickel(2+)
SYSTEMATIC NAME: azanium; nickel(2+); 2-oxidanylpropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C6H9NNiO7
MOLECULAR WEIGHT: 265.83156
SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[NH4+].[Ni+2]
Structure:
CAS RN: 68016-03-5
CAS Name: cobalt(2+); molybdenum; nickel(2+); oxygen(2-)
OPENEYE Name: cobaltous; nickelous; molybdenum; oxygen(2-)
IUPAC Name: cobalt(2+); molybdenum; nickel(2+); oxygen(2-)
SYSTEMATIC NAME: cobalt(2+); molybdenum; nickel(2+); oxygen(2-)
MOLECULAR FORMULA: CoMoNiO+2
MOLECULAR WEIGHT: 229.566
SMILES: [O-2].[Co+2].[Ni+2].[Mo]
Structure:
CAS RN: 674-76-0
CAS Name: (E)-4-methyl-2-pentene
OPENEYE Name: (E)-4-methylpent-2-ene
IUPAC Name: (E)-4-methylpent-2-ene
SYSTEMATIC NAME: (E)-4-methylpent-2-ene
MOLECULAR FORMULA: C6H12
MOLECULAR WEIGHT: 84.15948
SMILES: C/C=C/C(C)C
Structure:
CAS RN: 4461-48-7
CAS Name: (E)-4-methyl-2-pentene
OPENEYE Name: (E)-4-methylpent-2-ene
IUPAC Name: (E)-4-methylpent-2-ene
SYSTEMATIC NAME: (E)-4-methylpent-2-ene
MOLECULAR FORMULA: C6H12
MOLECULAR WEIGHT: 84.15948
SMILES: C/C=C/C(C)C
Structure:
CAS RN: 68003-26-9
CAS Name: ammonia; formaldehyde; 2-methylphenol
OPENEYE Name: ammonia; formaldehyde; o-cresol
IUPAC Name: azane; formaldehyde; 2-methylphenol
SYSTEMATIC NAME: azane; methanal; 2-methylphenol
MOLECULAR FORMULA: C8H13NO2
MOLECULAR WEIGHT: 155.19432
SMILES: CC1=CC=CC=C1O.C=O.N
Structure:
CAS RN: 68003-22-5
CAS Name: ammonium 2-[2,4-di(nonyl)phenoxy]ethyl sulfate
OPENEYE Name: ammonium 2-[2,4-di(nonyl)phenoxy]ethyl sulfate
IUPAC Name: azanium 2-[2,4-di(nonyl)phenoxy]ethyl sulfate
SYSTEMATIC NAME: azanium 2-[2,4-di(nonyl)phenoxy]ethyl sulfate
MOLECULAR FORMULA: C26H49NO5S
MOLECULAR WEIGHT: 487.73596
SMILES: CCCCCCCCCC1=CC(=C(C=C1)OCCOS(=O)(=O)[O-])CCCCCCCCC.[NH4+]
Structure:
CAS RN: 95327-89-2
CAS Name: ammonium 2-[2,4-di(nonyl)phenoxy]ethyl sulfate
OPENEYE Name: ammonium 2-[2,4-di(nonyl)phenoxy]ethyl sulfate
IUPAC Name: azanium 2-[2,4-di(nonyl)phenoxy]ethyl sulfate
SYSTEMATIC NAME: azanium 2-[2,4-di(nonyl)phenoxy]ethyl sulfate
MOLECULAR FORMULA: C26H49NO5S
MOLECULAR WEIGHT: 487.73596
SMILES: CCCCCCCCCC1=CC(=C(C=C1)OCCOS(=O)(=O)[O-])CCCCCCCCC.[NH4+]
Structure:
CAS RN: 68003-04-3
CAS Name: 2-aminoethanol; 2-[2-(2-cyanoethoxy)ethoxy]-5-nonylbenzenesulfonic acid
OPENEYE Name: 2-aminoethanol; 2-[2-(2-cyanoethoxy)ethoxy]-5-nonyl-benzenesulfonic acid
IUPAC Name: 2-aminoethanol; 2-[2-(2-cyanoethoxy)ethoxy]-5-nonylbenzenesulfonic acid
SYSTEMATIC NAME: 2-azanylethanol; 2-[2-(2-cyanoethoxy)ethoxy]-5-nonyl-benzenesulfonic acid
MOLECULAR FORMULA: C22H38N2O6S
MOLECULAR WEIGHT: 458.61192
SMILES: CCCCCCCCCC1=CC(=C(C=C1)OCCOCCC#N)S(=O)(=O)O.C(CO)N
Structure:
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