CAS RN: 3420-62-0
CAS Name: 1-azetidinyl(phenyl)methanone
OPENEYE Name: azetidin-1-yl(phenyl)methanone
IUPAC Name: azetidin-1-yl(phenyl)methanone
SYSTEMATIC NAME: azetidin-1-yl(phenyl)methanone
MOLECULAR FORMULA: C10H11NO
MOLECULAR WEIGHT: 161.20044
SMILES: C1CN(C1)C(=O)C2=CC=CC=C2
Structure:
CAS RN: 3420-02-8
CAS Name: 6-methyl-1H-indole
OPENEYE Name: 6-methyl-1H-indole
IUPAC Name: 6-methyl-1H-indole
SYSTEMATIC NAME: 6-methyl-1H-indole
MOLECULAR FORMULA: C9H9N
MOLECULAR WEIGHT: 131.17446
SMILES: CC1=CC2=C(C=C1)C=CN2
Structure:
CAS RN: 3419-71-4
CAS Name: 1,4,4-trimethylcyclohexene
OPENEYE Name: 1,4,4-trimethylcyclohexene
IUPAC Name: 1,4,4-trimethylcyclohexene
SYSTEMATIC NAME: 1,4,4-trimethylcyclohexene
MOLECULAR FORMULA: C9H16
MOLECULAR WEIGHT: 124.22334
SMILES: CC1=CCC(CC1)(C)C
Structure:
CAS RN: 3419-66-7
CAS Name: 1-tert-butylcyclohexene
OPENEYE Name: 1-tert-butylcyclohexene
IUPAC Name: 1-tert-butylcyclohexene
SYSTEMATIC NAME: 1-tert-butylcyclohexene
MOLECULAR FORMULA: C10H18
MOLECULAR WEIGHT: 138.24992
SMILES: CC(C)(C)C1=CCCCC1
Structure:
CAS RN: 3416-74-8
CAS Name: 1-chloro-4-nonyne
OPENEYE Name: 1-chloronon-4-yne
IUPAC Name: 1-chloronon-4-yne
SYSTEMATIC NAME: 1-chloranylnon-4-yne
MOLECULAR FORMULA: C9H15Cl
MOLECULAR WEIGHT: 158.6684
SMILES: CCCCC#CCCCCl
Structure:
CAS RN: 3404-77-1
CAS Name: 3,3-dimethyl-1-hexene
OPENEYE Name: 3,3-dimethylhex-1-ene
IUPAC Name: 3,3-dimethylhex-1-ene
SYSTEMATIC NAME: 3,3-dimethylhex-1-ene
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: CCCC(C)(C)C=C
Structure:
CAS RN: 3402-24-2
CAS Name: N-[dimethylamino(ethoxy)phosphino]-N-methylmethanamine
OPENEYE Name: N-[dimethylamino(ethoxy)phosphanyl]-N-methyl-methanamine
IUPAC Name: N-[dimethylamino(ethoxy)phosphanyl]-N-methylmethanamine
SYSTEMATIC NAME: N-[dimethylamino(ethoxy)phosphanyl]-N-methyl-methanamine
MOLECULAR FORMULA: C6H17N2OP
MOLECULAR WEIGHT: 164.185741
SMILES: CCOP(N(C)C)N(C)C
Structure:
CAS RN: 3401-01-2
CAS Name: 2-propan-2-ylcyclohexane-1,3-dione
OPENEYE Name: 2-isopropylcyclohexane-1,3-dione
IUPAC Name: 2-propan-2-ylcyclohexane-1,3-dione
SYSTEMATIC NAME: 2-propan-2-ylcyclohexane-1,3-dione
MOLECULAR FORMULA: C9H14O2
MOLECULAR WEIGHT: 154.20626
SMILES: CC(C)C1C(=O)CCCC1=O
Structure:
CAS RN: 3400-13-3
CAS Name: 1-methyl-2-oxa-1-azaspiro[2.5]octane
OPENEYE Name: 1-methyl-2-oxa-1-azaspiro[2.5]octane
IUPAC Name: 1-methyl-2-oxa-1-azaspiro[2.5]octane
SYSTEMATIC NAME: 1-methyl-2-oxa-1-azaspiro[2.5]octane
MOLECULAR FORMULA: C7H13NO
MOLECULAR WEIGHT: 127.18422
SMILES: CN1C2(O1)CCCCC2
Structure:
CAS RN: 3399-96-0
CAS Name: bromo(diethyl)arsine
OPENEYE Name: bromo(diethyl)arsane
IUPAC Name: bromo(diethyl)arsane
SYSTEMATIC NAME: bromanyl(diethyl)arsane
MOLECULAR FORMULA: C4H10AsBr
MOLECULAR WEIGHT: 212.9478
SMILES: CC[As](CC)Br
Structure:
CAS RN: 3396-02-9
CAS Name: 2-methyl-2-decanol
OPENEYE Name: 2-methyldecan-2-ol
IUPAC Name: 2-methyldecan-2-ol
SYSTEMATIC NAME: 2-methyldecan-2-ol
MOLECULAR FORMULA: C11H24O
MOLECULAR WEIGHT: 172.30766
SMILES: CCCCCCCCC(C)(C)O
Structure:
CAS RN: 3391-07-9
CAS Name: 7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane
OPENEYE Name: 7-tert-butoxynorbornane
IUPAC Name: 7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane
SYSTEMATIC NAME: 7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane
MOLECULAR FORMULA: C11H20O
MOLECULAR WEIGHT: 168.2759
SMILES: CC(C)(C)OC1C2CCC1CC2
Structure:
CAS RN: 3386-42-3
CAS Name: 1,4-dichloro-2-isothiocyanatobenzene
OPENEYE Name: 1,4-dichloro-2-isothiocyanato-benzene
IUPAC Name: 1,4-dichloro-2-isothiocyanatobenzene
SYSTEMATIC NAME: 1,4-bis(chloranyl)-2-isothiocyanato-benzene
MOLECULAR FORMULA: C7H3Cl2NS
MOLECULAR WEIGHT: 204.07642
SMILES: C1=CC(=C(C=C1Cl)N=C=S)Cl
Structure:
CAS RN: 3383-83-3
CAS Name: 1-bromo-3,7-dimethyloctane
OPENEYE Name: 1-bromo-3,7-dimethyl-octane
IUPAC Name: 1-bromo-3,7-dimethyloctane
SYSTEMATIC NAME: 1-bromanyl-3,7-dimethyl-octane
MOLECULAR FORMULA: C10H21Br
MOLECULAR WEIGHT: 221.17774
SMILES: CC(C)CCCC(C)CCBr
Structure:
CAS RN: 3378-45-8
CAS Name: cyclohexyl-[cyclohexyl(oxido)amino]-oxoammonium
OPENEYE Name: cyclohexyl-[cyclohexyl(oxido)amino]-oxo-ammonium
IUPAC Name: cyclohexyl-[cyclohexyl(oxido)amino]-oxoazanium
SYSTEMATIC NAME: cyclohexyl-[cyclohexyl(oxidanidyl)amino]-oxidanylidene-azanium
MOLECULAR FORMULA: C12H22N2O2
MOLECULAR WEIGHT: 226.31528
SMILES: C1CCC(CC1)N([N+](=O)C2CCCCC2)[O-]
Structure:
CAS RN: 3378-20-9
CAS Name: 2,2,5,5-tetramethyl-3,4-dimethylenehexane
OPENEYE Name: 2,2,5,5-tetramethyl-3,4-dimethylene-hexane
IUPAC Name: 2,2,5,5-tetramethyl-3,4-dimethylidenehexane
SYSTEMATIC NAME: 2,2,5,5-tetramethyl-3,4-dimethylidene-hexane
MOLECULAR FORMULA: C12H22
MOLECULAR WEIGHT: 166.30308
SMILES: CC(C)(C)C(=C)C(=C)C(C)(C)C
Structure:
CAS RN: 3376-59-8
CAS Name: benzoic acid 2,3-dihydroxypropyl ester
OPENEYE Name: 2,3-dihydroxypropyl benzoate
IUPAC Name: 2,3-dihydroxypropyl benzoate
SYSTEMATIC NAME: 2,3-bis(oxidanyl)propyl benzoate
MOLECULAR FORMULA: C10H12O4
MOLECULAR WEIGHT: 196.19988
SMILES: C1=CC=C(C=C1)C(=O)OCC(CO)O
Structure:
CAS RN: 3376-48-5
CAS Name: decanoic acid 1,3-dihydroxypropan-2-yl ester
OPENEYE Name: [2-hydroxy-1-(hydroxymethyl)ethyl] decanoate
IUPAC Name: 1,3-dihydroxypropan-2-yl decanoate
SYSTEMATIC NAME: 1,3-bis(oxidanyl)propan-2-yl decanoate
MOLECULAR FORMULA: C13H26O4
MOLECULAR WEIGHT: 246.34314
SMILES: CCCCCCCCCC(=O)OC(CO)CO
Structure:
CAS RN: 3376-35-0
CAS Name: N-methoxy-2-propanimine
OPENEYE Name: N-methoxypropan-2-imine
IUPAC Name: N-methoxypropan-2-imine
SYSTEMATIC NAME: N-methoxypropan-2-imine
MOLECULAR FORMULA: C4H9NO
MOLECULAR WEIGHT: 87.12036
SMILES: CC(=NOC)C
Structure:
CAS RN: 3369-48-0
CAS Name: 1,1,1,2,2-pentafluoroethane
OPENEYE Name: 1,1,1,2,2-pentafluoroethane
IUPAC Name: 1,1,1,2,2-pentafluoroethane
SYSTEMATIC NAME: 1,1,1,2,2-pentakis(fluoranyl)ethane
MOLECULAR FORMULA: C2F5
MOLECULAR WEIGHT: 119.013416
SMILES: [C](C(F)(F)F)(F)F
Structure:
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