CAS RN: 38875-47-7
CAS Name: 2-methyl-4-(1-phenylethyl)phenol
OPENEYE Name: 2-methyl-4-(1-phenylethyl)phenol
IUPAC Name: 2-methyl-4-(1-phenylethyl)phenol
SYSTEMATIC NAME: 2-methyl-4-(1-phenylethyl)phenol
MOLECULAR FORMULA: C15H16O
MOLECULAR WEIGHT: 212.28694
SMILES: CC1=C(C=CC(=C1)C(C)C2=CC=CC=C2)O
Structure:
CAS RN: 38869-49-7
CAS Name: 1-(2-methoxyphenyl)piperazine dihydrochloride
OPENEYE Name: 1-(2-methoxyphenyl)piperazine dihydrochloride
IUPAC Name: 1-(2-methoxyphenyl)piperazine dihydrochloride
SYSTEMATIC NAME: 1-(2-methoxyphenyl)piperazine dihydrochloride
MOLECULAR FORMULA: C11H18Cl2N2O
MOLECULAR WEIGHT: 265.17942
SMILES: COC1=CC=CC=C1N2CCNCC2.Cl.Cl
Structure:
CAS RN: 38826-92-5
CAS Name: N-[2-(2-aminoethylamino)ethyl]-4-hydroxybutanamide
OPENEYE Name: N-[2-(2-aminoethylamino)ethyl]-4-hydroxy-butanamide
IUPAC Name: N-[2-(2-aminoethylamino)ethyl]-4-hydroxybutanamide
SYSTEMATIC NAME: N-[2-(2-azanylethylamino)ethyl]-4-oxidanyl-butanamide
MOLECULAR FORMULA: C8H19N3O2
MOLECULAR WEIGHT: 189.25536
SMILES: C(CC(=O)NCCNCCN)CO
Structure:
CAS RN: 38818-49-4
CAS Name: 5-methyl-2-nitrobenzoyl chloride
OPENEYE Name: 5-methyl-2-nitro-benzoyl chloride
IUPAC Name: 5-methyl-2-nitrobenzoyl chloride
SYSTEMATIC NAME: 5-methyl-2-nitro-benzoyl chloride
MOLECULAR FORMULA: C8H6ClNO3
MOLECULAR WEIGHT: 199.59114
SMILES: CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)Cl
Structure:
CAS RN: 38778-78-8
CAS Name: 2-[(phenylmethyl)amino]-1-cyclohexenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-(benzylamino)cyclohexene-1-carboxylate
IUPAC Name: ethyl 2-(benzylamino)cyclohexene-1-carboxylate
SYSTEMATIC NAME: ethyl 2-[(phenylmethyl)amino]cyclohexene-1-carboxylate
MOLECULAR FORMULA: C16H21NO2
MOLECULAR WEIGHT: 259.34344
SMILES: CCOC(=O)C1=C(CCCC1)NCC2=CC=CC=C2
Structure:
CAS RN: 38758-04-2
CAS Name: 1-[4-(4-methylpent-3-enyl)-1-cyclohex-3-enyl]ethanone
OPENEYE Name: 1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanone
IUPAC Name: 1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanone
SYSTEMATIC NAME: 1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanone
MOLECULAR FORMULA: C14H22O
MOLECULAR WEIGHT: 206.32388
SMILES: CC(=CCCC1=CCC(CC1)C(=O)C)C
Structure:
CAS RN: 38731-84-9
CAS Name: 2,4-dimethyl-9H-xanthene
OPENEYE Name: 2,4-dimethyl-9H-xanthene
IUPAC Name: 2,4-dimethyl-9H-xanthene
SYSTEMATIC NAME: 2,4-dimethyl-9H-xanthene
MOLECULAR FORMULA: C15H14O
MOLECULAR WEIGHT: 210.27106
SMILES: CC1=CC(=C2C(=C1)CC3=CC=CC=C3O2)C
Structure:
CAS RN: 38731-83-8
CAS Name: 1,3-dimethyl-9H-xanthene
OPENEYE Name: 1,3-dimethyl-9H-xanthene
IUPAC Name: 1,3-dimethyl-9H-xanthene
SYSTEMATIC NAME: 1,3-dimethyl-9H-xanthene
MOLECULAR FORMULA: C15H14O
MOLECULAR WEIGHT: 210.27106
SMILES: CC1=CC(=C2CC3=CC=CC=C3OC2=C1)C
Structure:
CAS RN: 38713-13-2
CAS Name: 6,10-dimethyl-2-undecanol
OPENEYE Name: 6,10-dimethylundecan-2-ol
IUPAC Name: 6,10-dimethylundecan-2-ol
SYSTEMATIC NAME: 6,10-dimethylundecan-2-ol
MOLECULAR FORMULA: C13H28O
MOLECULAR WEIGHT: 200.36082
SMILES: CC(C)CCCC(C)CCCC(C)O
Structure:
CAS RN: 38705-98-5
CAS Name: 5-methyl-2-propan-2-yl-1-cyclohexanecarboxylic acid 2-hydroxyethyl ester
OPENEYE Name: 2-hydroxyethyl 2-isopropyl-5-methyl-cyclohexanecarboxylate
IUPAC Name: 2-hydroxyethyl 5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
SYSTEMATIC NAME: 2-hydroxyethyl 5-methyl-2-propan-2-yl-cyclohexane-1-carboxylate
MOLECULAR FORMULA: C13H24O3
MOLECULAR WEIGHT: 228.32786
SMILES: CC1CCC(C(C1)C(=O)OCCO)C(C)C
Structure:
CAS RN: 38694-47-2
CAS Name: 4-bromobutanal
OPENEYE Name: 4-bromobutanal
IUPAC Name: 4-bromobutanal
SYSTEMATIC NAME: 4-bromanylbutanal
MOLECULAR FORMULA: C4H7BrO
MOLECULAR WEIGHT: 151.00178
SMILES: C(CC=O)CBr
Structure:
CAS RN: 38641-17-7
CAS Name: 1-(2,2-dimethylpropyl)naphthalene
OPENEYE Name: 1-(2,2-dimethylpropyl)naphthalene
IUPAC Name: 1-(2,2-dimethylpropyl)naphthalene
SYSTEMATIC NAME: 1-(2,2-dimethylpropyl)naphthalene
MOLECULAR FORMULA: C15H18
MOLECULAR WEIGHT: 198.30342
SMILES: CC(C)(C)CC1=CC=CC2=CC=CC=C21
Structure:
CAS RN: 38603-72-4
CAS Name: 2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethanamine dihydrochloride
OPENEYE Name: 2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethanamine dihydrochloride
IUPAC Name: 2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethanamine dihydrochloride
SYSTEMATIC NAME: 2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethanamine dihydrochloride
MOLECULAR FORMULA: C7H15Cl2N3S
MOLECULAR WEIGHT: 244.1851
SMILES: CC1=C(N=CN1)CSCCN.Cl.Cl
Structure:
CAS RN: 38559-81-8
CAS Name: 2-(4-butoxyphenoxy)acetic acid
OPENEYE Name: 2-(4-butoxyphenoxy)acetic acid
IUPAC Name: 2-(4-butoxyphenoxy)acetic acid
SYSTEMATIC NAME: 2-(4-butoxyphenoxy)ethanoic acid
MOLECULAR FORMULA: C12H16O4
MOLECULAR WEIGHT: 224.25304
SMILES: CCCCOC1=CC=C(C=C1)OCC(=O)O
Structure:
CAS RN: 38540-90-8
CAS Name: 2-(N-ethyl-4-methoxyanilino)ethanol
OPENEYE Name: 2-(N-ethyl-4-methoxy-anilino)ethanol
IUPAC Name: 2-(N-ethyl-4-methoxyanilino)ethanol
SYSTEMATIC NAME: 2-[ethyl-(4-methoxyphenyl)amino]ethanol
MOLECULAR FORMULA: C11H17NO2
MOLECULAR WEIGHT: 195.25818
SMILES: CCN(CCO)C1=CC=C(C=C1)OC
Structure:
CAS RN: 38521-51-6
CAS Name: 1,2,3,4,5-pentabromo-6-(bromomethyl)benzene
OPENEYE Name: 1,2,3,4,5-pentabromo-6-(bromomethyl)benzene
IUPAC Name: 1,2,3,4,5-pentabromo-6-(bromomethyl)benzene
SYSTEMATIC NAME: 1,2,3,4,5-pentakis(bromanyl)-6-(bromomethyl)benzene
MOLECULAR FORMULA: C7H2Br6
MOLECULAR WEIGHT: 565.51478
SMILES: C(C1=C(C(=C(C(=C1Br)Br)Br)Br)Br)Br
Structure:
CAS RN: 38514-11-3
CAS Name: 2-propyl-1-octanol
OPENEYE Name: 2-propyloctan-1-ol
IUPAC Name: 2-propyloctan-1-ol
SYSTEMATIC NAME: 2-propyloctan-1-ol
MOLECULAR FORMULA: C11H24O
MOLECULAR WEIGHT: 172.30766
SMILES: CCCCCCC(CCC)CO
Structure:
CAS RN: 38514-03-3
CAS Name: 4-methyl-1-octanol
OPENEYE Name: 4-methyloctan-1-ol
IUPAC Name: 4-methyloctan-1-ol
SYSTEMATIC NAME: 4-methyloctan-1-ol
MOLECULAR FORMULA: C9H20O
MOLECULAR WEIGHT: 144.2545
SMILES: CCCCC(C)CCCO
Structure:
CAS RN: 38486-29-2
CAS Name: N'-[(2-methylphenyl)methyl]propane-1,3-diamine
OPENEYE Name: N'-(o-tolylmethyl)propane-1,3-diamine
IUPAC Name: N'-[(2-methylphenyl)methyl]propane-1,3-diamine
SYSTEMATIC NAME: N'-[(2-methylphenyl)methyl]propane-1,3-diamine
MOLECULAR FORMULA: C11H18N2
MOLECULAR WEIGHT: 178.27402
SMILES: CC1=CC=CC=C1CNCCCN
Structure:
CAS RN: 38475-96-6
CAS Name: 9-(4-aminophenyl)-2-methyl-3-acridinamine hydrochloride
OPENEYE Name: 9-(4-aminophenyl)-2-methyl-acridin-3-amine hydrochloride
IUPAC Name: 9-(4-aminophenyl)-2-methylacridin-3-amine hydrochloride
SYSTEMATIC NAME: 9-(4-aminophenyl)-2-methyl-acridin-3-amine hydrochloride
MOLECULAR FORMULA: C20H18ClN3
MOLECULAR WEIGHT: 335.83002
SMILES: CC1=CC2=C(C3=CC=CC=C3N=C2C=C1N)C4=CC=C(C=C4)N.Cl
Structure:
CAS RN: 38439-33-7
CAS Name: 4-methylpyridine-2,6-diamine
OPENEYE Name: 4-methylpyridine-2,6-diamine
IUPAC Name: 4-methylpyridine-2,6-diamine
SYSTEMATIC NAME: 4-methylpyridine-2,6-diamine
MOLECULAR FORMULA: C6H9N3
MOLECULAR WEIGHT: 123.15576
SMILES: CC1=CC(=NC(=C1)N)N
Structure:
CAS RN: 38433-74-8
CAS Name: 3-(methylthio)hexanal
OPENEYE Name: 3-methylsulfanylhexanal
IUPAC Name: 3-methylsulfanylhexanal
SYSTEMATIC NAME: 3-methylsulfanylhexanal
MOLECULAR FORMULA: C7H14OS
MOLECULAR WEIGHT: 146.25046
SMILES: CCCC(CC=O)SC
Structure:
CAS RN: 38410-12-7
CAS Name: tetraethylammonium formate
OPENEYE Name: tetraethylammonium formate
IUPAC Name: tetraethylazanium formate
SYSTEMATIC NAME: tetraethylazanium methanoate
MOLECULAR FORMULA: C9H21NO2
MOLECULAR WEIGHT: 175.26854
SMILES: CC[N+](CC)(CC)CC.C(=O)[O-]
Structure:
CAS RN: 38407-79-3
CAS Name: 2-hexadecoxy-5-[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]benzenesulfonic acid
OPENEYE Name: 2-hexadecoxy-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzenesulfonic acid
IUPAC Name: 2-hexadecoxy-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzenesulfonic acid
SYSTEMATIC NAME: 2-hexadecoxy-5-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoyl]benzenesulfonic acid
MOLECULAR FORMULA: C31H44N4O5S2
MOLECULAR WEIGHT: 616.83486
SMILES: CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3)S(=O)(=O)O
Structure:
CAS RN: 38399-72-3
CAS Name: 9,10-dihydroanthracene-1,4,9,10-tetrol
OPENEYE Name: 9,10-dihydroanthracene-1,4,9,10-tetrol
IUPAC Name: 9,10-dihydroanthracene-1,4,9,10-tetrol
SYSTEMATIC NAME: 9,10-dihydroanthracene-1,4,9,10-tetrol
MOLECULAR FORMULA: C14H12O4
MOLECULAR WEIGHT: 244.24268
SMILES: C1=CC=C2C(C3=C(C=CC(=C3C(C2=C1)O)O)O)O
Structure:
CAS RN: 38373-20-5
CAS Name: N-(3-bromophenyl)-N-hydroxyacetamide
OPENEYE Name: N-(3-bromophenyl)-N-hydroxy-acetamide
IUPAC Name: N-(3-bromophenyl)-N-hydroxyacetamide
SYSTEMATIC NAME: N-(3-bromophenyl)-N-oxidanyl-ethanamide
MOLECULAR FORMULA: C8H8BrNO2
MOLECULAR WEIGHT: 230.05862
SMILES: CC(=O)N(C1=CC(=CC=C1)Br)O
Structure:
CAS RN: 38325-24-5
CAS Name: 2-methyl-3-[(2-methyl-2,5-dihydrofuran-3-yl)thio]-3-oxolanethiol
OPENEYE Name: 2-methyl-3-[(2-methyl-2,5-dihydrofuran-3-yl)sulfanyl]tetrahydrofuran-3-thiol
IUPAC Name: 2-methyl-3-[(2-methyl-2,5-dihydrofuran-3-yl)sulfanyl]oxolane-3-thiol
SYSTEMATIC NAME: 2-methyl-3-[(2-methyl-2,5-dihydrofuran-3-yl)sulfanyl]oxolane-3-thiol
MOLECULAR FORMULA: C10H16O2S2
MOLECULAR WEIGHT: 232.36284
SMILES: CC1C(=CCO1)SC2(CCOC2C)S
Structure:
CAS RN: 38325-23-4
CAS Name: 2-methyl-3-[(5-methyl-2,3-dihydrofuran-3-yl)thio]-3-oxolanethiol
OPENEYE Name: 2-methyl-3-[(5-methyl-2,3-dihydrofuran-3-yl)sulfanyl]tetrahydrofuran-3-thiol
IUPAC Name: 2-methyl-3-[(5-methyl-2,3-dihydrofuran-3-yl)sulfanyl]oxolane-3-thiol
SYSTEMATIC NAME: 2-methyl-3-[(5-methyl-2,3-dihydrofuran-3-yl)sulfanyl]oxolane-3-thiol
MOLECULAR FORMULA: C10H16O2S2
MOLECULAR WEIGHT: 232.36284
SMILES: CC1C(CCO1)(S)SC2COC(=C2)C
Structure:
CAS RN: 38316-05-1
CAS Name: 1-(4-methoxyphenyl)-2-nitroethanol
OPENEYE Name: 1-(4-methoxyphenyl)-2-nitro-ethanol
IUPAC Name: 1-(4-methoxyphenyl)-2-nitroethanol
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-2-nitro-ethanol
MOLECULAR FORMULA: C9H11NO4
MOLECULAR WEIGHT: 197.18794
SMILES: COC1=CC=C(C=C1)C(C[N+](=O)[O-])O
Structure:
CAS RN: 38303-36-5
CAS Name: 1,3,6-tribromopyrene
OPENEYE Name: 1,3,6-tribromopyrene
IUPAC Name: 1,3,6-tribromopyrene
SYSTEMATIC NAME: 1,3,6-tris(bromanyl)pyrene
MOLECULAR FORMULA: C16H7Br3
MOLECULAR WEIGHT: 438.93878
SMILES: C1=CC2=C3C(=C(C=C2Br)Br)C=CC4=C(C=CC1=C43)Br
Structure:
CAS RN: 38241-51-9
CAS Name: 2-chloro-1-ethoxy-4-isocyanatobenzene
OPENEYE Name: 2-chloro-1-ethoxy-4-isocyanato-benzene
IUPAC Name: 2-chloro-1-ethoxy-4-isocyanatobenzene
SYSTEMATIC NAME: 2-chloranyl-1-ethoxy-4-isocyanato-benzene
MOLECULAR FORMULA: C9H8ClNO2
MOLECULAR WEIGHT: 197.61832
SMILES: CCOC1=C(C=C(C=C1)N=C=O)Cl
Structure:
CAS RN: 38229-29-7
CAS Name: 2,4,6-trinitro-N-(2-nitrophenyl)aniline
OPENEYE Name: 2,4,6-trinitro-N-(2-nitrophenyl)aniline
IUPAC Name: 2,4,6-trinitro-N-(2-nitrophenyl)aniline
SYSTEMATIC NAME: 2,4,6-trinitro-N-(2-nitrophenyl)aniline
MOLECULAR FORMULA: C12H7N5O8
MOLECULAR WEIGHT: 349.21268
SMILES: C1=CC=C(C(=C1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 38207-56-6
CAS Name: N,N'-di(docosyl)hexanediamide
OPENEYE Name: N,N'-di(docosyl)hexanediamide
IUPAC Name: N,N'-di(docosyl)hexanediamide
SYSTEMATIC NAME: N,N'-di(docosyl)hexanediamide
MOLECULAR FORMULA: C50H100N2O2
MOLECULAR WEIGHT: 761.3412
SMILES: CCCCCCCCCCCCCCCCCCCCCCNC(=O)CCCCC(=O)NCCCCCCCCCCCCCCCCCCCCCC
Structure:
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