CAS RN: 4444-43-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H10O
MOLECULAR WEIGHT: 206.2393
SMILES: C1=CC=C2C(=C1)C=CC(=O)C3=CC=CC=C23
Structure:
CAS RN: 4443-91-8
CAS Name: 7-benzo[7]annulenone
OPENEYE Name: benzo[7]annulen-7-one
IUPAC Name: benzo[7]annulen-7-one
SYSTEMATIC NAME: benzo[7]annulen-7-one
MOLECULAR FORMULA: C11H8O
MOLECULAR WEIGHT: 156.18062
SMILES: C1=CC=C2C=CC(=O)C=CC2=C1
Structure:
CAS RN: 4443-57-6
CAS Name: eicosan-3-ylcyclohexane
OPENEYE Name: 1-ethyloctadecylcyclohexane
IUPAC Name: icosan-3-ylcyclohexane
SYSTEMATIC NAME: icosan-3-ylcyclohexane
MOLECULAR FORMULA: C26H52
MOLECULAR WEIGHT: 364.69108
SMILES: CCCCCCCCCCCCCCCCCC(CC)C1CCCCC1
Structure:
CAS RN: 4443-48-5
CAS Name: 3-bromo-4,7,7-trimethylbicyclo[2.2.1]heptane
OPENEYE Name: 2-bromo-1,7,7-trimethyl-norbornane
IUPAC Name: 3-bromo-4,7,7-trimethylbicyclo[2.2.1]heptane
SYSTEMATIC NAME: 3-bromanyl-4,7,7-trimethyl-bicyclo[2.2.1]heptane
MOLECULAR FORMULA: C10H17Br
MOLECULAR WEIGHT: 217.14598
SMILES: CC1(C2CCC1(C(C2)Br)C)C
Structure:
CAS RN: 4443-46-3
CAS Name: (phenylthio)-dipropylborane
OPENEYE Name: phenylsulfanyl(dipropyl)borane
IUPAC Name: phenylsulfanyl(dipropyl)borane
SYSTEMATIC NAME: phenylsulfanyl(dipropyl)borane
MOLECULAR FORMULA: C12H19BS
MOLECULAR WEIGHT: 206.15526
SMILES: B(CCC)(CCC)SC1=CC=CC=C1
Structure:
CAS RN: 4443-43-0
CAS Name: methoxy(dimethyl)borane
OPENEYE Name: methoxy(dimethyl)borane
IUPAC Name: methoxy(dimethyl)borane
SYSTEMATIC NAME: methoxy(dimethyl)borane
MOLECULAR FORMULA: C3H9BO
MOLECULAR WEIGHT: 71.91396
SMILES: B(C)(C)OC
Structure:
CAS RN: 4441-66-1
CAS Name: 4-cyclohexylbutanenitrile
OPENEYE Name: 4-cyclohexylbutanenitrile
IUPAC Name: 4-cyclohexylbutanenitrile
SYSTEMATIC NAME: 4-cyclohexylbutanenitrile
MOLECULAR FORMULA: C10H17N
MOLECULAR WEIGHT: 151.24868
SMILES: C1CCC(CC1)CCCC#N
Structure:
CAS RN: 4438-47-5
CAS Name: 1-trimethylsilyl-N,N-bis(trimethylsilylmethyl)methanamine
OPENEYE Name: 1-trimethylsilyl-N,N-bis(trimethylsilylmethyl)methanamine
IUPAC Name: 1-trimethylsilyl-N,N-bis(trimethylsilylmethyl)methanamine
SYSTEMATIC NAME: 1-trimethylsilyl-N,N-bis(trimethylsilylmethyl)methanamine
MOLECULAR FORMULA: C12H33NSi3
MOLECULAR WEIGHT: 275.65362
SMILES: C[Si](C)(C)CN(C[Si](C)(C)C)C[Si](C)(C)C
Structure:
CAS RN: 4436-99-1
CAS Name: 2,2,6,6-tetramethyl-4-heptanone
OPENEYE Name: 2,2,6,6-tetramethylheptan-4-one
IUPAC Name: 2,2,6,6-tetramethylheptan-4-one
SYSTEMATIC NAME: 2,2,6,6-tetramethylheptan-4-one
MOLECULAR FORMULA: C11H22O
MOLECULAR WEIGHT: 170.29178
SMILES: CC(C)(C)CC(=O)CC(C)(C)C
Structure:
CAS RN: 4436-81-1
CAS Name: 5,5-dimethyl-4-(3-oxobutyl)-2-oxolanone
OPENEYE Name: 5,5-dimethyl-4-(3-oxobutyl)tetrahydrofuran-2-one
IUPAC Name: 5,5-dimethyl-4-(3-oxobutyl)oxolan-2-one
SYSTEMATIC NAME: 5,5-dimethyl-4-(3-oxidanylidenebutyl)oxolan-2-one
MOLECULAR FORMULA: C10H16O3
MOLECULAR WEIGHT: 184.23224
SMILES: CC(=O)CCC1CC(=O)OC1(C)C
Structure:
CAS RN: 16091-70-6
CAS Name: 5,5-dimethyl-4-(3-oxobutyl)-2-oxolanone
OPENEYE Name: 5,5-dimethyl-4-(3-oxobutyl)tetrahydrofuran-2-one
IUPAC Name: 5,5-dimethyl-4-(3-oxobutyl)oxolan-2-one
SYSTEMATIC NAME: 5,5-dimethyl-4-(3-oxidanylidenebutyl)oxolan-2-one
MOLECULAR FORMULA: C10H16O3
MOLECULAR WEIGHT: 184.23224
SMILES: CC(=O)CCC1CC(=O)OC1(C)C
Structure:
CAS RN: 4433-16-3
CAS Name: 1,3,5-trinitro-2-(2,4,6-trinitrophenyl)benzene
OPENEYE Name: 1,3,5-trinitro-2-(2,4,6-trinitrophenyl)benzene
IUPAC Name: 1,3,5-trinitro-2-(2,4,6-trinitrophenyl)benzene
SYSTEMATIC NAME: 1,3,5-trinitro-2-(2,4,6-trinitrophenyl)benzene
MOLECULAR FORMULA: C12H4N6O12
MOLECULAR WEIGHT: 424.19316
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 4433-10-7
CAS Name: 2,4-dimethyl-1-phenylbenzene
OPENEYE Name: 2,4-dimethyl-1-phenyl-benzene
IUPAC Name: 2,4-dimethyl-1-phenylbenzene
SYSTEMATIC NAME: 2,4-dimethyl-1-phenyl-benzene
MOLECULAR FORMULA: C14H14
MOLECULAR WEIGHT: 182.26096
SMILES: CC1=CC(=C(C=C1)C2=CC=CC=C2)C
Structure:
CAS RN: 4432-72-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H18
MOLECULAR WEIGHT: 258.35692
SMILES: C1CC2=CC=C(CCC3=CC=C1C=C3)C4=CC=CC=C24
Structure:
CAS RN: 4431-82-7
CAS Name: ethoxymethoxymethoxymethoxyethane
OPENEYE Name: ethoxymethoxymethoxymethoxyethane
IUPAC Name: ethoxymethoxymethoxymethoxyethane
SYSTEMATIC NAME: ethoxymethoxymethoxymethoxyethane
MOLECULAR FORMULA: C7H16O4
MOLECULAR WEIGHT: 164.19954
SMILES: CCOCOCOCOCC
Structure:
CAS RN: 4430-51-7
CAS Name: 1,4-diisothiocyanatobutane
OPENEYE Name: 1,4-diisothiocyanatobutane
IUPAC Name: 1,4-diisothiocyanatobutane
SYSTEMATIC NAME: 1,4-diisothiocyanatobutane
MOLECULAR FORMULA: C6H8N2S2
MOLECULAR WEIGHT: 172.27112
SMILES: C(CCN=C=S)CN=C=S
Structure:
CAS RN: 4430-29-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H20
MOLECULAR WEIGHT: 428.5226
SMILES: C1C2=CC=CC=C2C3=C4C1=CC=C5C4=C(C=C3)C6=CC=C7CC8=CC=CC=C8C9=C7C6=C5C=C9
Structure:
CAS RN: 4430-09-5
CAS Name: N,N-dihexylaniline
OPENEYE Name: N,N-dihexylaniline
IUPAC Name: N,N-dihexylaniline
SYSTEMATIC NAME: N,N-dihexylaniline
MOLECULAR FORMULA: C18H31N
MOLECULAR WEIGHT: 261.44544
SMILES: CCCCCCN(CCCCCC)C1=CC=CC=C1
Structure:
CAS RN: 4427-97-8
CAS Name: carbonic acid dicyclohexyl ester
OPENEYE Name: dicyclohexyl carbonate
IUPAC Name: dicyclohexyl carbonate
SYSTEMATIC NAME: dicyclohexyl carbonate
MOLECULAR FORMULA: C13H22O3
MOLECULAR WEIGHT: 226.31198
SMILES: C1CCC(CC1)OC(=O)OC2CCCCC2
Structure:
CAS RN: 4427-28-5
CAS Name: 1-propen-2-amine
OPENEYE Name: prop-1-en-2-amine
IUPAC Name: prop-1-en-2-amine
SYSTEMATIC NAME: prop-1-en-2-amine
MOLECULAR FORMULA: C3H7N
MOLECULAR WEIGHT: 57.09438
SMILES: CC(=C)N
Structure:
CAS RN: 4426-87-3
CAS Name: 1-isothiocyanatohexadecane
OPENEYE Name: 1-isothiocyanatohexadecane
IUPAC Name: 1-isothiocyanatohexadecane
SYSTEMATIC NAME: 1-isothiocyanatohexadecane
MOLECULAR FORMULA: C17H33NS
MOLECULAR WEIGHT: 283.51562
SMILES: CCCCCCCCCCCCCCCCN=C=S
Structure:
CAS RN: 4426-70-4
CAS Name: methylimino(selanylidene)methane
OPENEYE Name: methylimino(selenoxo)methane
IUPAC Name: methylimino(selanylidene)methane
SYSTEMATIC NAME: methylimino(selanylidene)methane
MOLECULAR FORMULA: C2H3NSe
MOLECULAR WEIGHT: 120.01192
SMILES: CN=C=[Se]
Structure:
CAS RN: 4426-48-6
CAS Name: butane-1,2-diamine
OPENEYE Name: butane-1,2-diamine
IUPAC Name: butane-1,2-diamine
SYSTEMATIC NAME: butane-1,2-diamine
MOLECULAR FORMULA: C4H12N2
MOLECULAR WEIGHT: 88.15148
SMILES: CCC(CN)N
Structure:
CAS RN: 4426-46-4
CAS Name: butyl(methyl)diazene
OPENEYE Name: butyl(methyl)diazene
IUPAC Name: butyl(methyl)diazene
SYSTEMATIC NAME: butyl(methyl)diazene
MOLECULAR FORMULA: C5H12N2
MOLECULAR WEIGHT: 100.16218
SMILES: CCCCN=NC
Structure:
CAS RN: 4413-48-3
CAS Name: 5-methoxy-2,1,3-benzoxadiazole
OPENEYE Name: 5-methoxy-2,1,3-benzoxadiazole
IUPAC Name: 5-methoxy-2,1,3-benzoxadiazole
SYSTEMATIC NAME: 5-methoxy-2,1,3-benzoxadiazole
MOLECULAR FORMULA: C7H6N2O2
MOLECULAR WEIGHT: 150.13474
SMILES: COC1=CC2=NON=C2C=C1
Structure:
CAS RN: 4409-99-8
CAS Name: 1-ethenoxypropa-1,2-diene
OPENEYE Name: 1-vinyloxyallene
IUPAC Name: 1-ethenoxypropa-1,2-diene
SYSTEMATIC NAME: 1-ethenoxypropa-1,2-diene
MOLECULAR FORMULA: C5H6O
MOLECULAR WEIGHT: 82.10054
SMILES: C=COC=C=C
Structure:
CAS RN: 4405-33-8
CAS Name: trimethyl-(4-nitrophenyl)silane
OPENEYE Name: trimethyl-(4-nitrophenyl)silane
IUPAC Name: trimethyl-(4-nitrophenyl)silane
SYSTEMATIC NAME: trimethyl-(4-nitrophenyl)silane
MOLECULAR FORMULA: C9H13NO2Si
MOLECULAR WEIGHT: 195.29052
SMILES: C[Si](C)(C)C1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 4404-51-7
CAS Name: 1-isothiocyanato-2-methylbutane
OPENEYE Name: 1-isothiocyanato-2-methyl-butane
IUPAC Name: 1-isothiocyanato-2-methylbutane
SYSTEMATIC NAME: 1-isothiocyanato-2-methyl-butane
MOLECULAR FORMULA: C6H11NS
MOLECULAR WEIGHT: 129.22324
SMILES: CCC(C)CN=C=S
Structure:
CAS RN: 4736-57-6
CAS Name: 1-isothiocyanato-2-methylbutane
OPENEYE Name: 1-isothiocyanato-2-methyl-butane
IUPAC Name: 1-isothiocyanato-2-methylbutane
SYSTEMATIC NAME: 1-isothiocyanato-2-methyl-butane
MOLECULAR FORMULA: C6H11NS
MOLECULAR WEIGHT: 129.22324
SMILES: CCC(C)CN=C=S
Structure:
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