Thursday, November 29, 2012

http://ChemLookup.com Compounds




CAS RN: 35117-18-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H20
MOLECULAR WEIGHT: 236.3514
SMILES: CC1=C2CCC3=CC(=C(CCC(=C1)C=C2)C=C3)C
Structure:

CAS RN: 80548-37-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H20
MOLECULAR WEIGHT: 236.3514
SMILES: CC1=C2CCC3=CC(=C(CCC(=C1)C=C2)C=C3)C
Structure:

CAS RN: 23889-83-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H24N6
MOLECULAR WEIGHT: 288.39126
SMILES: CC1(C=NN2C1N3C(C(C=N3)(C)C)N4C2C(C=N4)(C)C)C
Structure:

CAS RN: 23888-15-5
CAS Name: 3,5-diphenyl-1,2,4-trioxolane
OPENEYE Name: 3,5-diphenyl-1,2,4-trioxolane
IUPAC Name: 3,5-diphenyl-1,2,4-trioxolane
SYSTEMATIC NAME: 3,5-diphenyl-1,2,4-trioxolane
MOLECULAR FORMULA: C14H12O3
MOLECULAR WEIGHT: 228.24328
SMILES: C1=CC=C(C=C1)C2OC(OO2)C3=CC=CC=C3
Structure:

CAS RN: 23844-56-6
CAS Name: 2-(4-chloro-2-methylphenoxy)propanoic acid methyl ester
OPENEYE Name: methyl 2-(4-chloro-2-methyl-phenoxy)propanoate
IUPAC Name: methyl 2-(4-chloro-2-methylphenoxy)propanoate
SYSTEMATIC NAME: methyl 2-(4-chloranyl-2-methyl-phenoxy)propanoate
MOLECULAR FORMULA: C11H13ClO3
MOLECULAR WEIGHT: 228.67212
SMILES: CC1=C(C=CC(=C1)Cl)OC(C)C(=O)OC
Structure:

CAS RN: 2786-19-8
CAS Name: 2-(4-chloro-2-methylphenoxy)propanoic acid methyl ester
OPENEYE Name: methyl 2-(4-chloro-2-methyl-phenoxy)propanoate
IUPAC Name: methyl 2-(4-chloro-2-methylphenoxy)propanoate
SYSTEMATIC NAME: methyl 2-(4-chloranyl-2-methyl-phenoxy)propanoate
MOLECULAR FORMULA: C11H13ClO3
MOLECULAR WEIGHT: 228.67212
SMILES: CC1=C(C=CC(=C1)Cl)OC(C)C(=O)OC
Structure:

CAS RN: 23781-82-0
CAS Name: 6-phenylazulene
OPENEYE Name: 6-phenylazulene
IUPAC Name: 6-phenylazulene
SYSTEMATIC NAME: 6-phenylazulene
MOLECULAR FORMULA: C16H12
MOLECULAR WEIGHT: 204.26648
SMILES: C1=CC=C(C=C1)C2=CC=C3C=CC=C3C=C2
Structure:

CAS RN: 23772-26-1
CAS Name: 6,11-dihydrobenzo[c][1]benzothiepin 5,5-dioxide
OPENEYE Name: 6,11-dihydrobenzo[c][1]benzothiepine 5,5-dioxide
IUPAC Name: 6,11-dihydrobenzo[c][1]benzothiepine 5,5-dioxide
SYSTEMATIC NAME: 6,11-dihydrobenzo[c][1]benzothiepine 5,5-dioxide
MOLECULAR FORMULA: C14H12O2S
MOLECULAR WEIGHT: 244.30888
SMILES: C1C2=CC=CC=C2CS(=O)(=O)C3=CC=CC=C31
Structure:

CAS RN: 23724-93-8
CAS Name: 1-methoxyisoquinoline
OPENEYE Name: 1-methoxyisoquinoline
IUPAC Name: 1-methoxyisoquinoline
SYSTEMATIC NAME: 1-methoxyisoquinoline
MOLECULAR FORMULA: C10H9NO
MOLECULAR WEIGHT: 159.18456
SMILES: COC1=NC=CC2=CC=CC=C21
Structure:

CAS RN: 23708-66-9
CAS Name: 5,5-dimethyl-10H-benzo[b][1]benzostannin
OPENEYE Name: 5,5-dimethyl-10H-benzo[b][1]benzostannine
IUPAC Name: 5,5-dimethyl-10H-benzo[b][1]benzostannine
SYSTEMATIC NAME: 5,5-dimethyl-10H-benzo[b][1]benzostannine
MOLECULAR FORMULA: C15H16Sn
MOLECULAR WEIGHT: 314.99754
SMILES: C[Sn]1(C2=CC=CC=C2CC3=CC=CC=C31)C
Structure:

CAS RN: 23700-63-2
CAS Name: 1-iodo-3,3-dimethyl-1-butyne
OPENEYE Name: 1-iodo-3,3-dimethyl-but-1-yne
IUPAC Name: 1-iodo-3,3-dimethylbut-1-yne
SYSTEMATIC NAME: 1-iodanyl-3,3-dimethyl-but-1-yne
MOLECULAR FORMULA: C6H9I
MOLECULAR WEIGHT: 208.04013
SMILES: CC(C)(C)C#CI
Structure:

CAS RN: 23695-63-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H12O2S
MOLECULAR WEIGHT: 220.28748
SMILES: C1C23C=CC=CC2(CS1(=O)=O)C=CC=C3
Structure:

CAS RN: 23690-14-4
CAS Name: 1-(2,6-dimethoxyphenyl)-2-propanamine
OPENEYE Name: 1-(2,6-dimethoxyphenyl)propan-2-amine
IUPAC Name: 1-(2,6-dimethoxyphenyl)propan-2-amine
SYSTEMATIC NAME: 1-(2,6-dimethoxyphenyl)propan-2-amine
MOLECULAR FORMULA: C11H17NO2
MOLECULAR WEIGHT: 195.25818
SMILES: CC(CC1=C(C=CC=C1OC)OC)N
Structure:

CAS RN: 23690-13-3
CAS Name: 1-(2,4-dimethoxyphenyl)-2-propanamine
OPENEYE Name: 1-(2,4-dimethoxyphenyl)propan-2-amine
IUPAC Name: 1-(2,4-dimethoxyphenyl)propan-2-amine
SYSTEMATIC NAME: 1-(2,4-dimethoxyphenyl)propan-2-amine
MOLECULAR FORMULA: C11H17NO2
MOLECULAR WEIGHT: 195.25818
SMILES: CC(CC1=C(C=C(C=C1)OC)OC)N
Structure:

CAS RN: 52850-81-4
CAS Name: 1-(2,4-dimethoxyphenyl)-2-propanamine
OPENEYE Name: 1-(2,4-dimethoxyphenyl)propan-2-amine
IUPAC Name: 1-(2,4-dimethoxyphenyl)propan-2-amine
SYSTEMATIC NAME: 1-(2,4-dimethoxyphenyl)propan-2-amine
MOLECULAR FORMULA: C11H17NO2
MOLECULAR WEIGHT: 195.25818
SMILES: CC(CC1=C(C=C(C=C1)OC)OC)N
Structure:

CAS RN: 23661-84-9
CAS Name: 2-tert-butyldioxy-5-hydroperoxy-2,5-dimethylhexane
OPENEYE Name: 2-tert-butylperoxy-5-hydroperoxy-2,5-dimethyl-hexane
IUPAC Name: 2-tert-butylperoxy-5-hydroperoxy-2,5-dimethylhexane
SYSTEMATIC NAME: 2-tert-butylperoxy-5-(dioxidanyl)-2,5-dimethyl-hexane
MOLECULAR FORMULA: C12H26O4
MOLECULAR WEIGHT: 234.33244
SMILES: CC(C)(C)OOC(C)(C)CCC(C)(C)OO
Structure:

CAS RN: 23627-80-7
CAS Name: nitric acid (2,4,5-trinitrooxy-7-oxabicyclo[4.1.0]heptan-3-yl) ester
OPENEYE Name: (2,4,5-trinitrooxy-7-oxabicyclo[4.1.0]heptan-3-yl) nitrate
IUPAC Name: (2,4,5-trinitrooxy-7-oxabicyclo[4.1.0]heptan-3-yl) nitrate
SYSTEMATIC NAME: (2,4,5-trinitrooxy-7-oxabicyclo[4.1.0]heptan-3-yl) nitrate
MOLECULAR FORMULA: C6H6N4O13
MOLECULAR WEIGHT: 342.13084
SMILES: C12C(O1)C(C(C(C2O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]
Structure:

CAS RN: 23603-63-6
CAS Name: 1,2-dicyclopropylethenylcyclopropane
OPENEYE Name: 1,2-dicyclopropylvinylcyclopropane
IUPAC Name: 1,2-dicyclopropylethenylcyclopropane
SYSTEMATIC NAME: 1,2-dicyclopropylethenylcyclopropane
MOLECULAR FORMULA: C11H16
MOLECULAR WEIGHT: 148.24474
SMILES: C1CC1C=C(C2CC2)C3CC3
Structure:

CAS RN: 23588-66-1
CAS Name: 4-methanimidoyl-3-methyl-4H-1,3-benzothiazin-2-one
OPENEYE Name: 4-methanimidoyl-3-methyl-4H-1,3-benzothiazin-2-one
IUPAC Name: 4-methanimidoyl-3-methyl-4H-1,3-benzothiazin-2-one
SYSTEMATIC NAME: 4-(iminomethyl)-3-methyl-4H-1,3-benzothiazin-2-one
MOLECULAR FORMULA: C10H10N2OS
MOLECULAR WEIGHT: 206.2642
SMILES: CN1C(C2=CC=CC=C2SC1=O)C=N
Structure:

CAS RN: 23587-90-8
CAS Name: ditert-butylmercury
OPENEYE Name: ditert-butylmercury
IUPAC Name: ditert-butylmercury
SYSTEMATIC NAME: ditert-butylmercury
MOLECULAR FORMULA: C8H18Hg
MOLECULAR WEIGHT: 314.81852
SMILES: CC(C)(C)[Hg]C(C)(C)C
Structure:

CAS RN: 14832-59-8
CAS Name: N-phenyl-2H-tetrazol-5-amine
OPENEYE Name: N-phenyl-2H-tetrazol-5-amine
IUPAC Name: N-phenyl-2H-tetrazol-5-amine
SYSTEMATIC NAME: N-phenyl-2H-1,2,3,4-tetrazol-5-amine
MOLECULAR FORMULA: C7H7N5
MOLECULAR WEIGHT: 161.16398
SMILES: C1=CC=C(C=C1)NC2=NNN=N2
Structure:

CAS RN: 23458-49-3
CAS Name: 3-butylimino-2,2,4,4-tetramethyl-1-cyclobutanone
OPENEYE Name: 3-butylimino-2,2,4,4-tetramethyl-cyclobutanone
IUPAC Name: 3-butylimino-2,2,4,4-tetramethylcyclobutan-1-one
SYSTEMATIC NAME: 3-butylimino-2,2,4,4-tetramethyl-cyclobutan-1-one
MOLECULAR FORMULA: C12H21NO
MOLECULAR WEIGHT: 195.30124
SMILES: CCCCN=C1C(C(=O)C1(C)C)(C)C
Structure:

CAS RN: 23450-31-9
CAS Name: 4-(phenylmethyl)benzonitrile
OPENEYE Name: 4-benzylbenzonitrile
IUPAC Name: 4-benzylbenzonitrile
SYSTEMATIC NAME: 4-(phenylmethyl)benzenecarbonitrile
MOLECULAR FORMULA: C14H11N
MOLECULAR WEIGHT: 193.24384
SMILES: C1=CC=C(C=C1)CC2=CC=C(C=C2)C#N
Structure:

CAS RN: 23443-59-6
CAS Name: pentane
OPENEYE Name: pentane
IUPAC Name: pentane
SYSTEMATIC NAME: pentane
MOLECULAR FORMULA: C5H11
MOLECULAR WEIGHT: 71.14084
SMILES: CC[CH]CC
Structure:

CAS RN: 23438-77-9
CAS Name: 3,6,6-trimethyl-1-cyclohex-2-enone
OPENEYE Name: 3,6,6-trimethylcyclohex-2-en-1-one
IUPAC Name: 3,6,6-trimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 3,6,6-trimethylcyclohex-2-en-1-one
MOLECULAR FORMULA: C9H14O
MOLECULAR WEIGHT: 138.20686
SMILES: CC1=CC(=O)C(CC1)(C)C
Structure:

CAS RN: 23418-91-9
CAS Name: 9-phenyl-9-borabicyclo[3.3.1]nonane
OPENEYE Name: 9-phenyl-9-borabicyclo[3.3.1]nonane
IUPAC Name: 9-phenyl-9-borabicyclo[3.3.1]nonane
SYSTEMATIC NAME: 9-phenyl-9-borabicyclo[3.3.1]nonane
MOLECULAR FORMULA: C14H19B
MOLECULAR WEIGHT: 198.11166
SMILES: B1(C2CCCC1CCC2)C3=CC=CC=C3
Structure:

CAS RN: 23418-37-3
CAS Name: 4-methyl-4-octanol
OPENEYE Name: 4-methyloctan-4-ol
IUPAC Name: 4-methyloctan-4-ol
SYSTEMATIC NAME: 4-methyloctan-4-ol
MOLECULAR FORMULA: C9H20O
MOLECULAR WEIGHT: 144.2545
SMILES: CCCCC(C)(CCC)O
Structure:

CAS RN: 88448-42-4
CAS Name: 4-methyl-4-octanol
OPENEYE Name: 4-methyloctan-4-ol
IUPAC Name: 4-methyloctan-4-ol
SYSTEMATIC NAME: 4-methyloctan-4-ol
MOLECULAR FORMULA: C9H20O
MOLECULAR WEIGHT: 144.2545
SMILES: CCCCC(C)(CCC)O
Structure:

CAS RN: 23412-45-5
CAS Name: tetrafluoromolybdenum
OPENEYE Name: tetrafluoromolybdenum
IUPAC Name: tetrafluoromolybdenum
SYSTEMATIC NAME: tetrakis(fluoranyl)molybdenum
MOLECULAR FORMULA: F4Mo
MOLECULAR WEIGHT: 171.933613
SMILES: F[Mo](F)(F)F
Structure:

CAS RN: 23374-70-1
CAS Name: N-[4,6-bis(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine
OPENEYE Name: N-[4,6-bis(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine
IUPAC Name: N-[4,6-bis(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine
SYSTEMATIC NAME: N-[4,6-bis(oxidanylamino)-1,3,5-triazin-2-yl]hydroxylamine
MOLECULAR FORMULA: C3H6N6O3
MOLECULAR WEIGHT: 174.11814
SMILES: C1(=NC(=NC(=N1)NO)NO)NO
Structure:

CAS RN: 23373-04-8
CAS Name: N-(2,4-dibromophenyl)acetamide
OPENEYE Name: N-(2,4-dibromophenyl)acetamide
IUPAC Name: N-(2,4-dibromophenyl)acetamide
SYSTEMATIC NAME: N-[2,4-bis(bromanyl)phenyl]ethanamide
MOLECULAR FORMULA: C8H7Br2NO
MOLECULAR WEIGHT: 292.95528
SMILES: CC(=O)NC1=C(C=C(C=C1)Br)Br
Structure:

CAS RN: 23361-74-2
CAS Name: pentanoic acid butan-2-yl ester
OPENEYE Name: sec-butyl pentanoate
IUPAC Name: butan-2-yl pentanoate
SYSTEMATIC NAME: butan-2-yl pentanoate
MOLECULAR FORMULA: C9H18O2
MOLECULAR WEIGHT: 158.23802
SMILES: CCCCC(=O)OC(C)CC
Structure:

CAS RN: 23361-56-0
CAS Name: fluoro(oxo)borane
OPENEYE Name: fluoro(oxo)borane
IUPAC Name: fluoro(oxo)borane
SYSTEMATIC NAME: fluoranyl(oxidanylidene)borane
MOLECULAR FORMULA: BFO
MOLECULAR WEIGHT: 45.808803
SMILES: B(=O)F
Structure:

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