CAS RN: 72036-52-3
CAS Name: 5,5-dimethyl-3-(4-methylphenyl)-1-cyclohex-2-enone
OPENEYE Name: 5,5-dimethyl-3-(p-tolyl)cyclohex-2-en-1-one
IUPAC Name: 5,5-dimethyl-3-(4-methylphenyl)cyclohex-2-en-1-one
SYSTEMATIC NAME: 5,5-dimethyl-3-(4-methylphenyl)cyclohex-2-en-1-one
MOLECULAR FORMULA: C15H18O
MOLECULAR WEIGHT: 214.30282
SMILES: CC1=CC=C(C=C1)C2=CC(=O)CC(C2)(C)C
Structure:
CAS RN: 72030-11-6
CAS Name: 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-propenenitrile
OPENEYE Name: 2-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enenitrile
IUPAC Name: 2-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enenitrile
SYSTEMATIC NAME: 2-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enenitrile
MOLECULAR FORMULA: C16H12ClNO
MOLECULAR WEIGHT: 269.72558
SMILES: COC1=CC=C(C=C1)C=C(C#N)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 71932-99-5
CAS Name: 2,2-dimethyl-4-hexyn-3-one
OPENEYE Name: 2,2-dimethylhex-4-yn-3-one
IUPAC Name: 2,2-dimethylhex-4-yn-3-one
SYSTEMATIC NAME: 2,2-dimethylhex-4-yn-3-one
MOLECULAR FORMULA: C8H12O
MOLECULAR WEIGHT: 124.18028
SMILES: CC#CC(=O)C(C)(C)C
Structure:
CAS RN: 71932-98-4
CAS Name: 2-heptyn-4-one
OPENEYE Name: hept-2-yn-4-one
IUPAC Name: hept-2-yn-4-one
SYSTEMATIC NAME: hept-2-yn-4-one
MOLECULAR FORMULA: C7H10O
MOLECULAR WEIGHT: 110.1537
SMILES: CCCC(=O)C#CC
Structure:
CAS RN: 71932-97-3
CAS Name: 4-ethyl-2-hexynal
OPENEYE Name: 4-ethylhex-2-ynal
IUPAC Name: 4-ethylhex-2-ynal
SYSTEMATIC NAME: 4-ethylhex-2-ynal
MOLECULAR FORMULA: C8H12O
MOLECULAR WEIGHT: 124.18028
SMILES: CCC(CC)C#CC=O
Structure:
CAS RN: 71925-33-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H8N2
MOLECULAR WEIGHT: 192.21602
SMILES: C1C2C=C(C1C3=C(C=CC=C23)C#N)C#N
Structure:
CAS RN: 71925-32-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H8N2
MOLECULAR WEIGHT: 192.21602
SMILES: C1C2C=C(C1C3=CC=CC(=C23)C#N)C#N
Structure:
CAS RN: 71925-31-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H8N2
MOLECULAR WEIGHT: 192.21602
SMILES: C1C2C=C(C1C3=C2C=CC(=C3)C#N)C#N
Structure:
CAS RN: 71925-30-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H8N2
MOLECULAR WEIGHT: 192.21602
SMILES: C1C2C=C(C1C3=C2C=C(C=C3)C#N)C#N
Structure:
CAS RN: 71906-57-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H9N
MOLECULAR WEIGHT: 167.20656
SMILES: C1C2C=C(C1C3=CC=CC=C23)C#N
Structure:
CAS RN: 71906-50-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H11NO
MOLECULAR WEIGHT: 197.23254
SMILES: COC1=CC=CC2=C1C3CC2C(=C3)C#N
Structure:
CAS RN: 71906-48-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H11NO
MOLECULAR WEIGHT: 197.23254
SMILES: COC1=CC=CC2=C1C3CC2C=C3C#N
Structure:
CAS RN: 71906-42-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H11NO
MOLECULAR WEIGHT: 197.23254
SMILES: COC1=CC2=C(C=C1)C3CC2C=C3C#N
Structure:
CAS RN: 71899-35-9
CAS Name: 1,2,3,4,5,6-hexamethyl-1,2,4,5-tetrazinane
OPENEYE Name: 1,2,3,4,5,6-hexamethyl-1,2,4,5-tetrazinane
IUPAC Name: 1,2,3,4,5,6-hexamethyl-1,2,4,5-tetrazinane
SYSTEMATIC NAME: 1,2,3,4,5,6-hexamethyl-1,2,4,5-tetrazinane
MOLECULAR FORMULA: C8H20N4
MOLECULAR WEIGHT: 172.2712
SMILES: CC1N(N(C(N(N1C)C)C)C)C
Structure:
CAS RN: 71871-56-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H14
MOLECULAR WEIGHT: 158.23956
SMILES: C=C1C2C3CC4C1C5C2CC3C45
Structure:
CAS RN: 71805-64-6
CAS Name: 5,5-dimethylbicyclo[2.1.0]pentane
OPENEYE Name: 5,5-dimethylbicyclo[2.1.0]pentane
IUPAC Name: 5,5-dimethylbicyclo[2.1.0]pentane
SYSTEMATIC NAME: 5,5-dimethylbicyclo[2.1.0]pentane
MOLECULAR FORMULA: C7H12
MOLECULAR WEIGHT: 96.17018
SMILES: CC1(C2C1CC2)C
Structure:
CAS RN: 71789-10-1
CAS Name: trimethyl(penta-1,4-diynyl)silane
OPENEYE Name: trimethyl(penta-1,4-diynyl)silane
IUPAC Name: trimethyl(penta-1,4-diynyl)silane
SYSTEMATIC NAME: trimethyl(penta-1,4-diynyl)silane
MOLECULAR FORMULA: C8H12Si
MOLECULAR WEIGHT: 136.26638
SMILES: C[Si](C)(C)C#CCC#C
Structure:
CAS RN: 71779-89-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24
MOLECULAR WEIGHT: 264.40456
SMILES: CC1=C2CCC3=C(C(=C(CCC(=C1C)C=C2)C=C3)C)C
Structure:
CAS RN: 71771-39-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C6H12N3PSe
MOLECULAR WEIGHT: 236.113341
SMILES: C1CN2CCN3P2(=[Se])N1CC3
Structure:
CAS RN: 71771-38-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C6H12N3PS
MOLECULAR WEIGHT: 189.218341
SMILES: C1CN2CCN3P2(=S)N1CC3
Structure:
CAS RN: 71771-37-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C6H12N3OP
MOLECULAR WEIGHT: 173.152741
SMILES: C1CN2CCN3P2(=O)N1CC3
Structure:
CAS RN: 71742-94-4
CAS Name: N-(2,2,2-trinitroethyl)-N-(3,3,3-trinitropropyl)nitramide
OPENEYE Name: N-(2,2,2-trinitroethyl)-N-(3,3,3-trinitropropyl)nitramide
IUPAC Name: N-(2,2,2-trinitroethyl)-N-(3,3,3-trinitropropyl)nitramide
SYSTEMATIC NAME: N-(2,2,2-trinitroethyl)-N-(3,3,3-trinitropropyl)nitramide
MOLECULAR FORMULA: C5H6N8O14
MOLECULAR WEIGHT: 402.14634
SMILES: C(CN(CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 71671-89-1
CAS Name: 11-fluorobicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
OPENEYE Name: 11-fluorobicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
IUPAC Name: 11-fluorobicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
SYSTEMATIC NAME: 11-fluoranylbicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
MOLECULAR FORMULA: C11H9F
MOLECULAR WEIGHT: 160.187563
SMILES: C1=CC=C2C=CC=CC(=C1)C2F
Structure:
CAS RN: 71656-72-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H16OS
MOLECULAR WEIGHT: 208.31984
SMILES: C1CCC23CS(=O)CC2(C1)C=CC=C3
Structure:
CAS RN: 71648-45-8
CAS Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]ethanone
OPENEYE Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]ethanone
IUPAC Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]ethanone
SYSTEMATIC NAME: 1-[2-chloranyl-5-(trifluoromethyl)phenyl]ethanone
MOLECULAR FORMULA: C9H6ClF3O
MOLECULAR WEIGHT: 222.59155
SMILES: CC(=O)C1=C(C=CC(=C1)C(F)(F)F)Cl
Structure:
CAS RN: 71648-41-4
CAS Name: 3-(1-nitrocyclohexyl)propanoic acid methyl ester
OPENEYE Name: methyl 3-(1-nitrocyclohexyl)propanoate
IUPAC Name: methyl 3-(1-nitrocyclohexyl)propanoate
SYSTEMATIC NAME: methyl 3-(1-nitrocyclohexyl)propanoate
MOLECULAR FORMULA: C10H17NO4
MOLECULAR WEIGHT: 215.24628
SMILES: COC(=O)CCC1(CCCCC1)[N+](=O)[O-]
Structure:
CAS RN: 71647-32-0
CAS Name: 4-ethenyl-2,3-diazabicyclo[2.2.2]oct-2-ene
OPENEYE Name: 4-vinyl-2,3-diazabicyclo[2.2.2]oct-2-ene
IUPAC Name: 4-ethenyl-2,3-diazabicyclo[2.2.2]oct-2-ene
SYSTEMATIC NAME: 4-ethenyl-2,3-diazabicyclo[2.2.2]oct-2-ene
MOLECULAR FORMULA: C8H12N2
MOLECULAR WEIGHT: 136.19428
SMILES: C=CC12CCC(CC1)N=N2
Structure:
CAS RN: 71642-16-5
CAS Name: 2,4,6-tribromo-3-methylaniline
OPENEYE Name: 2,4,6-tribromo-3-methyl-aniline
IUPAC Name: 2,4,6-tribromo-3-methylaniline
SYSTEMATIC NAME: 2,4,6-tris(bromanyl)-3-methyl-aniline
MOLECULAR FORMULA: C7H6Br3N
MOLECULAR WEIGHT: 343.84124
SMILES: CC1=C(C(=C(C=C1Br)Br)N)Br
Structure:
CAS RN: 71609-39-7
CAS Name: 2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
OPENEYE Name: 2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
IUPAC Name: 2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
SYSTEMATIC NAME: 2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
MOLECULAR FORMULA: C11H14N2O
MOLECULAR WEIGHT: 190.24166
SMILES: COC1=CC=C(C=C1)CC2=NCCN2
Structure:
CAS RN: 71600-20-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H18OS
MOLECULAR WEIGHT: 210.33572
SMILES: C1CCC23CC=CCC2(C1)CS(=O)C3
Structure:
CAS RN: 71591-81-6
CAS Name: 1-(4-methoxyphenyl)-2,2-dimethyl-3-phenylpropane-1,3-dione
OPENEYE Name: 1-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-propane-1,3-dione
IUPAC Name: 1-(4-methoxyphenyl)-2,2-dimethyl-3-phenylpropane-1,3-dione
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-propane-1,3-dione
MOLECULAR FORMULA: C18H18O3
MOLECULAR WEIGHT: 282.33372
SMILES: CC(C)(C(=O)C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)OC
Structure:
CAS RN: 71579-72-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: F4H3NP2Si
MOLECULAR WEIGHT: 183.057155
SMILES: N([SiH3])(P(F)F)P(F)F
Structure:
CAS RN: 71579-71-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: F2H6NPSi2
MOLECULAR WEIGHT: 145.195907
SMILES: N([SiH3])([SiH3])P(F)F
Structure:
CAS RN: 71555-63-0
CAS Name: 3-tert-butyl-6-methoxycyclohexene
OPENEYE Name: 3-tert-butyl-6-methoxy-cyclohexene
IUPAC Name: 3-tert-butyl-6-methoxycyclohexene
SYSTEMATIC NAME: 3-tert-butyl-6-methoxy-cyclohexene
MOLECULAR FORMULA: C11H20O
MOLECULAR WEIGHT: 168.2759
SMILES: CC(C)(C)C1CCC(C=C1)OC
Structure:
CAS RN: 71555-64-1
CAS Name: 3-tert-butyl-6-methoxycyclohexene
OPENEYE Name: 3-tert-butyl-6-methoxy-cyclohexene
IUPAC Name: 3-tert-butyl-6-methoxycyclohexene
SYSTEMATIC NAME: 3-tert-butyl-6-methoxy-cyclohexene
MOLECULAR FORMULA: C11H20O
MOLECULAR WEIGHT: 168.2759
SMILES: CC(C)(C)C1CCC(C=C1)OC
Structure:
CAS RN: 71512-38-4
CAS Name: 1-methyl-5-azocanone
OPENEYE Name: 1-methylazocan-5-one
IUPAC Name: 1-methylazocan-5-one
SYSTEMATIC NAME: 1-methylazocan-5-one
MOLECULAR FORMULA: C8H15NO
MOLECULAR WEIGHT: 141.2108
SMILES: CN1CCCC(=O)CCC1
Structure:
CAS RN: 71481-55-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: F6HNP2
MOLECULAR WEIGHT: 190.952581
SMILES: N(P(F)F)P(F)(F)(F)F
Structure:
CAS RN: 71431-36-2
CAS Name: 1-[ethenyl(ethyl)phosphoryl]oxypropane
OPENEYE Name: 1-[ethyl(vinyl)phosphoryl]oxypropane
IUPAC Name: 1-[ethenyl(ethyl)phosphoryl]oxypropane
SYSTEMATIC NAME: 1-[ethenyl(ethyl)phosphoryl]oxypropane
MOLECULAR FORMULA: C7H15O2P
MOLECULAR WEIGHT: 162.166561
SMILES: CCCOP(=O)(CC)C=C
Structure:
CAS RN: 71332-86-0
CAS Name: undecanoic acid [4-[4-[4-(1-oxoundecoxy)phenyl]buta-1,3-diynyl]phenyl] ester
OPENEYE Name: [4-[4-(4-undecanoyloxyphenyl)buta-1,3-diynyl]phenyl] undecanoate
IUPAC Name: [4-[4-(4-undecanoyloxyphenyl)buta-1,3-diynyl]phenyl] undecanoate
SYSTEMATIC NAME: [4-[4-(4-undecanoyloxyphenyl)buta-1,3-diynyl]phenyl] undecanoate
MOLECULAR FORMULA: C38H50O4
MOLECULAR WEIGHT: 570.8012
SMILES: CCCCCCCCCCC(=O)OC1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)OC(=O)CCCCCCCCCC
Structure:
CAS RN: 71332-85-9
CAS Name: nonanoic acid [4-[4-[4-(1-oxononoxy)phenyl]buta-1,3-diynyl]phenyl] ester
OPENEYE Name: [4-[4-(4-nonanoyloxyphenyl)buta-1,3-diynyl]phenyl] nonanoate
IUPAC Name: [4-[4-(4-nonanoyloxyphenyl)buta-1,3-diynyl]phenyl] nonanoate
SYSTEMATIC NAME: [4-[4-(4-nonanoyloxyphenyl)buta-1,3-diynyl]phenyl] nonanoate
MOLECULAR FORMULA: C34H42O4
MOLECULAR WEIGHT: 514.69488
SMILES: CCCCCCCCC(=O)OC1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)OC(=O)CCCCCCCC
Structure:
CAS RN: 71332-83-7
CAS Name: pentanoic acid [4-[4-[4-(1-oxopentoxy)phenyl]buta-1,3-diynyl]phenyl] ester
OPENEYE Name: [4-[4-(4-pentanoyloxyphenyl)buta-1,3-diynyl]phenyl] pentanoate
IUPAC Name: [4-[4-(4-pentanoyloxyphenyl)buta-1,3-diynyl]phenyl] pentanoate
SYSTEMATIC NAME: [4-[4-(4-pentanoyloxyphenyl)buta-1,3-diynyl]phenyl] pentanoate
MOLECULAR FORMULA: C26H26O4
MOLECULAR WEIGHT: 402.48224
SMILES: CCCCC(=O)OC1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)OC(=O)CCCC
Structure:
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