CAS RN: 600-10-2
CAS Name: 1,2-dichloro-3-methylbutane
OPENEYE Name: 1,2-dichloro-3-methyl-butane
IUPAC Name: 1,2-dichloro-3-methylbutane
SYSTEMATIC NAME: 1,2-bis(chloranyl)-3-methyl-butane
MOLECULAR FORMULA: C5H10Cl2
MOLECULAR WEIGHT: 141.0389
SMILES: CC(C)C(CCl)Cl
Structure:
CAS RN: 599-97-3
CAS Name: 1,1,1-trichloro-2,2-diethoxyethane
OPENEYE Name: 1,1,1-trichloro-2,2-diethoxy-ethane
IUPAC Name: 1,1,1-trichloro-2,2-diethoxyethane
SYSTEMATIC NAME: 1,1,1-tris(chloranyl)-2,2-diethoxy-ethane
MOLECULAR FORMULA: C6H11Cl3O2
MOLECULAR WEIGHT: 221.50934
SMILES: CCOC(C(Cl)(Cl)Cl)OCC
Structure:
CAS RN: 598-29-8
CAS Name: 1,2-diiodopropane
OPENEYE Name: 1,2-diiodopropane
IUPAC Name: 1,2-diiodopropane
SYSTEMATIC NAME: 1,2-bis(iodanyl)propane
MOLECULAR FORMULA: C3H6I2
MOLECULAR WEIGHT: 295.88868
SMILES: CC(CI)I
Structure:
CAS RN: 598-26-5
CAS Name: 2-methyl-1-propen-1-one
OPENEYE Name: 2-methylprop-1-en-1-one
IUPAC Name: 2-methylprop-1-en-1-one
SYSTEMATIC NAME: 2-methylprop-1-en-1-one
MOLECULAR FORMULA: C4H6O
MOLECULAR WEIGHT: 70.08984
SMILES: CC(=C=O)C
Structure:
CAS RN: 598-01-6
CAS Name: 4-methyl-4-heptanol
OPENEYE Name: 4-methylheptan-4-ol
IUPAC Name: 4-methylheptan-4-ol
SYSTEMATIC NAME: 4-methylheptan-4-ol
MOLECULAR FORMULA: C8H18O
MOLECULAR WEIGHT: 130.22792
SMILES: CCCC(C)(CCC)O
Structure:
CAS RN: 597-93-3
CAS Name: 5-butyl-5-nonanol
OPENEYE Name: 5-butylnonan-5-ol
IUPAC Name: 5-butylnonan-5-ol
SYSTEMATIC NAME: 5-butylnonan-5-ol
MOLECULAR FORMULA: C13H28O
MOLECULAR WEIGHT: 200.36082
SMILES: CCCCC(CCCC)(CCCC)O
Structure:
CAS RN: 597-84-2
CAS Name: tris(4-methylphenoxy)-sulfanylidenephosphorane
OPENEYE Name: tris(4-methylphenoxy)-thioxo-$l^{5}-phosphane
IUPAC Name: tris(4-methylphenoxy)-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: tris(4-methylphenoxy)-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C21H21O3PS
MOLECULAR WEIGHT: 384.428401
SMILES: CC1=CC=C(C=C1)OP(=S)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C
Structure:
CAS RN: 597-05-7
CAS Name: 3-ethyl-2-methyl-3-pentanol
OPENEYE Name: 3-ethyl-2-methyl-pentan-3-ol
IUPAC Name: 3-ethyl-2-methylpentan-3-ol
SYSTEMATIC NAME: 3-ethyl-2-methyl-pentan-3-ol
MOLECULAR FORMULA: C8H18O
MOLECULAR WEIGHT: 130.22792
SMILES: CCC(CC)(C(C)C)O
Structure:
CAS RN: 596-48-5
CAS Name: tris(4-nitrophenyl)methanol
OPENEYE Name: tris(4-nitrophenyl)methanol
IUPAC Name: tris(4-nitrophenyl)methanol
SYSTEMATIC NAME: tris(4-nitrophenyl)methanol
MOLECULAR FORMULA: C19H13N3O7
MOLECULAR WEIGHT: 395.32242
SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)[N+](=O)[O-])(C3=CC=C(C=C3)[N+](=O)[O-])O)[N+](=O)[O-]
Structure:
CAS RN: 596-31-6
CAS Name: [methoxy(diphenyl)methyl]benzene
OPENEYE Name: [methoxy(diphenyl)methyl]benzene
IUPAC Name: [methoxy(diphenyl)methyl]benzene
SYSTEMATIC NAME: [methoxy(diphenyl)methyl]benzene
MOLECULAR FORMULA: C20H18O
MOLECULAR WEIGHT: 274.35632
SMILES: COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 596-30-5
CAS Name: [diphenyl-(triphenylmethyl)dioxymethyl]benzene
OPENEYE Name: [diphenyl(tritylperoxy)methyl]benzene
IUPAC Name: [diphenyl(tritylperoxy)methyl]benzene
SYSTEMATIC NAME: [diphenyl-(triphenylmethyl)peroxy-methyl]benzene
MOLECULAR FORMULA: C38H30O2
MOLECULAR WEIGHT: 518.6436
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OOC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 595-98-2
CAS Name: 2-hydroxy-2-methylpropanedioic acid
OPENEYE Name: 2-hydroxy-2-methyl-propanedioic acid
IUPAC Name: 2-hydroxy-2-methylpropanedioic acid
SYSTEMATIC NAME: 2-methyl-2-oxidanyl-propanedioic acid
MOLECULAR FORMULA: C4H6O5
MOLECULAR WEIGHT: 134.08744
SMILES: CC(C(=O)O)(C(=O)O)O
Structure:
CAS RN: 595-49-3
CAS Name: 2,2-dinitropropane
OPENEYE Name: 2,2-dinitropropane
IUPAC Name: 2,2-dinitropropane
SYSTEMATIC NAME: 2,2-dinitropropane
MOLECULAR FORMULA: C3H6N2O4
MOLECULAR WEIGHT: 134.09074
SMILES: CC(C)([N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 594-73-0
CAS Name: 1,1,1,2,2,2-hexabromoethane
OPENEYE Name: 1,1,1,2,2,2-hexabromoethane
IUPAC Name: 1,1,1,2,2,2-hexabromoethane
SYSTEMATIC NAME: 1,1,1,2,2,2-hexakis(bromanyl)ethane
MOLECULAR FORMULA: C2Br6
MOLECULAR WEIGHT: 503.4454
SMILES: C(C(Br)(Br)Br)(Br)(Br)Br
Structure:
CAS RN: 594-57-0
CAS Name: 2-chloro-2,3-dimethylbutane
OPENEYE Name: 2-chloro-2,3-dimethyl-butane
IUPAC Name: 2-chloro-2,3-dimethylbutane
SYSTEMATIC NAME: 2-chloranyl-2,3-dimethyl-butane
MOLECULAR FORMULA: C6H13Cl
MOLECULAR WEIGHT: 120.62042
SMILES: CC(C)C(C)(C)Cl
Structure:
CAS RN: 593-68-0
CAS Name: ethylphosphine
OPENEYE Name: ethylphosphane
IUPAC Name: ethylphosphane
SYSTEMATIC NAME: ethylphosphane
MOLECULAR FORMULA: C2H7P
MOLECULAR WEIGHT: 62.050741
SMILES: CCP
Structure:
CAS RN: 593-61-3
CAS Name: bromoethyne
OPENEYE Name: bromoacetylene
IUPAC Name: bromoethyne
SYSTEMATIC NAME: bromanylethyne
MOLECULAR FORMULA: C2HBr
MOLECULAR WEIGHT: 104.93334
SMILES: C#CBr
Structure:
CAS RN: 592-49-4
CAS Name: hexa-2,3-diene
OPENEYE Name: hexa-2,3-diene
IUPAC Name: hexa-2,3-diene
SYSTEMATIC NAME: hexa-2,3-diene
MOLECULAR FORMULA: C6H10
MOLECULAR WEIGHT: 82.1436
SMILES: CCC=C=CC
Structure:
CAS RN: 592-44-9
CAS Name: hexa-1,2-diene
OPENEYE Name: hexa-1,2-diene
IUPAC Name: hexa-1,2-diene
SYSTEMATIC NAME: hexa-1,2-diene
MOLECULAR FORMULA: C6H10
MOLECULAR WEIGHT: 82.1436
SMILES: CCCC=C=C
Structure:
CAS RN: 591-96-8
CAS Name: penta-2,3-diene
OPENEYE Name: penta-2,3-diene
IUPAC Name: penta-2,3-diene
SYSTEMATIC NAME: penta-2,3-diene
MOLECULAR FORMULA: C5H8
MOLECULAR WEIGHT: 68.11702
SMILES: CC=C=CC
Structure:
CAS RN: 591-84-4
CAS Name: thiocyanic acid 2-methylpropyl ester
OPENEYE Name: isobutyl thiocyanate
IUPAC Name: 2-methylpropyl thiocyanate
SYSTEMATIC NAME: 2-methylpropyl thiocyanate
MOLECULAR FORMULA: C5H9NS
MOLECULAR WEIGHT: 115.19666
SMILES: CC(C)CSC#N
Structure:
CAS RN: 591-34-4
CAS Name: propanoic acid butan-2-yl ester
OPENEYE Name: sec-butyl propanoate
IUPAC Name: butan-2-yl propanoate
SYSTEMATIC NAME: butan-2-yl propanoate
MOLECULAR FORMULA: C7H14O2
MOLECULAR WEIGHT: 130.18486
SMILES: CCC(C)OC(=O)CC
Structure:
CAS RN: 590-38-5
CAS Name: 2-methyl-3-pentyn-2-ol
OPENEYE Name: 2-methylpent-3-yn-2-ol
IUPAC Name: 2-methylpent-3-yn-2-ol
SYSTEMATIC NAME: 2-methylpent-3-yn-2-ol
MOLECULAR FORMULA: C6H10O
MOLECULAR WEIGHT: 98.143
SMILES: CC#CC(C)(C)O
Structure:
CAS RN: 588-93-2
CAS Name: 1-bromo-4-propylbenzene
OPENEYE Name: 1-bromo-4-propyl-benzene
IUPAC Name: 1-bromo-4-propylbenzene
SYSTEMATIC NAME: 1-bromanyl-4-propyl-benzene
MOLECULAR FORMULA: C9H11Br
MOLECULAR WEIGHT: 199.08764
SMILES: CCCC1=CC=C(C=C1)Br
Structure:
CAS RN: 588-47-6
CAS Name: N-(2-methylpropyl)aniline
OPENEYE Name: N-isobutylaniline
IUPAC Name: N-(2-methylpropyl)aniline
SYSTEMATIC NAME: N-(2-methylpropyl)aniline
MOLECULAR FORMULA: C10H15N
MOLECULAR WEIGHT: 149.2328
SMILES: CC(C)CNC1=CC=CC=C1
Structure:
CAS RN: 583-11-9
CAS Name: N-(1-phenylethylideneamino)aniline
OPENEYE Name: N-(1-phenylethylideneamino)aniline
IUPAC Name: N-(1-phenylethylideneamino)aniline
SYSTEMATIC NAME: N-(1-phenylethylideneamino)aniline
MOLECULAR FORMULA: C14H14N2
MOLECULAR WEIGHT: 210.27436
SMILES: CC(=NNC1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 583-05-1
CAS Name: 1-phenylpentane-1,4-dione
OPENEYE Name: 1-phenylpentane-1,4-dione
IUPAC Name: 1-phenylpentane-1,4-dione
SYSTEMATIC NAME: 1-phenylpentane-1,4-dione
MOLECULAR FORMULA: C11H12O2
MOLECULAR WEIGHT: 176.21178
SMILES: CC(=O)CCC(=O)C1=CC=CC=C1
Structure:
CAS RN: 580-35-8
CAS Name: 2,4,6-triphenylpyridine
OPENEYE Name: 2,4,6-triphenylpyridine
IUPAC Name: 2,4,6-triphenylpyridine
SYSTEMATIC NAME: 2,4,6-triphenylpyridine
MOLECULAR FORMULA: C23H17N
MOLECULAR WEIGHT: 307.38778
SMILES: C1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 576-82-9
CAS Name: 1,2,3-tribromo-5-fluorobenzene
OPENEYE Name: 1,2,3-tribromo-5-fluoro-benzene
IUPAC Name: 1,2,3-tribromo-5-fluorobenzene
SYSTEMATIC NAME: 1,2,3-tris(bromanyl)-5-fluoranyl-benzene
MOLECULAR FORMULA: C6H2Br3F
MOLECULAR WEIGHT: 332.790483
SMILES: C1=C(C=C(C(=C1Br)Br)Br)F
Structure:
CAS RN: 570-46-7
CAS Name: 10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
OPENEYE Name: 17-(1,5-dimethylhexyl)-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
IUPAC Name: 10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
SYSTEMATIC NAME: 10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
MOLECULAR FORMULA: C27H46O
MOLECULAR WEIGHT: 386.65354
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCCC4)C)C
Structure:
CAS RN: 568-02-5
CAS Name: 5-hydroxy-4H-naphtho[2,3-f]quinoline-6,7,12-trione
OPENEYE Name: 5-hydroxy-4H-naphtho[2,3-f]quinoline-6,7,12-trione
IUPAC Name: 5-hydroxy-4H-naphtho[2,3-f]quinoline-6,7,12-trione
SYSTEMATIC NAME: 5-oxidanyl-4H-naphtho[2,3-f]quinoline-6,7,12-trione
MOLECULAR FORMULA: C17H9NO4
MOLECULAR WEIGHT: 291.25766
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=O)C(=C4C3=CC=CN4)O
Structure:
CAS RN: 564-04-5
CAS Name: 2,2-dimethyl-3-pentanone
OPENEYE Name: 2,2-dimethylpentan-3-one
IUPAC Name: 2,2-dimethylpentan-3-one
SYSTEMATIC NAME: 2,2-dimethylpentan-3-one
MOLECULAR FORMULA: C7H14O
MOLECULAR WEIGHT: 114.18546
SMILES: CCC(=O)C(C)(C)C
Structure:
CAS RN: 563-86-0
CAS Name: butane-2,3-diamine
OPENEYE Name: butane-2,3-diamine
IUPAC Name: butane-2,3-diamine
SYSTEMATIC NAME: butane-2,3-diamine
MOLECULAR FORMULA: C4H12N2
MOLECULAR WEIGHT: 88.15148
SMILES: CC(C(C)N)N
Structure:
CAS RN: 562-88-9
CAS Name: 2,2,4,4,6,6,8,8-octakis(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2$l^{5},4$l^{5},6$l^{5},8$l^{5}-tetraphosphacycloocta-1,3,5,7-tetraene
OPENEYE Name: 2,2,4,4,6,6,8,8-octakis(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2$l^{5},4$l^{5},6$l^{5},8$l^{5}-tetraphosphacycloocta-1,3,5,7-tetraene
IUPAC Name: 2,2,4,4,6,6,8,8-octakis(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2$l^{5},4$l^{5},6$l^{5},8$l^{5}-tetraphosphacycloocta-1,3,5,7-tetraene
SYSTEMATIC NAME: 2,2,4,4,6,6,8,8-octakis[2,2,2-tris(fluoranyl)ethoxy]-1,3,5,7-tetraza-2$l^{5},4$l^{5},6$l^{5},8$l^{5}-tetraphosphacycloocta-1,3,5,7-tetraene
MOLECULAR FORMULA: C16H16F24N4O8P4
MOLECULAR WEIGHT: 972.176961
SMILES: C(C(F)(F)F)OP1(=NP(=NP(=NP(=N1)(OCC(F)(F)F)OCC(F)(F)F)(OCC(F)(F)F)OCC(F)(F)F)(OCC(F)(F)F)OCC(F)(F)F)OCC(F)(F)F
Structure:
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