CAS RN: 65210-63-1
CAS Name: 7,8-dimethoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 7,8-dimethoxy-4-oxo-tetralin-2-carboxylate
IUPAC Name: ethyl 7,8-dimethoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate
SYSTEMATIC NAME: ethyl 7,8-dimethoxy-4-oxidanylidene-2,3-dihydro-1H-naphthalene-2-carboxylate
MOLECULAR FORMULA: C15H18O5
MOLECULAR WEIGHT: 278.30042
SMILES: CCOC(=O)C1CC2=C(C=CC(=C2OC)OC)C(=O)C1
Structure:
CAS RN: 65210-62-0
CAS Name: 3-[(2,3-dimethoxyphenyl)methyl]-4-ethoxy-4-oxobutanoic acid
OPENEYE Name: 3-[(2,3-dimethoxyphenyl)methyl]-4-ethoxy-4-oxo-butanoic acid
IUPAC Name: 3-[(2,3-dimethoxyphenyl)methyl]-4-ethoxy-4-oxobutanoic acid
SYSTEMATIC NAME: 3-[(2,3-dimethoxyphenyl)methyl]-4-ethoxy-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C15H20O6
MOLECULAR WEIGHT: 296.3157
SMILES: CCOC(=O)C(CC1=C(C(=CC=C1)OC)OC)CC(=O)O
Structure:
CAS RN: 65210-61-9
CAS Name: 4-(2,3-dimethoxyphenyl)-3-ethoxycarbonyl-3-butenoic acid
OPENEYE Name: 4-(2,3-dimethoxyphenyl)-3-ethoxycarbonyl-but-3-enoic acid
IUPAC Name: 4-(2,3-dimethoxyphenyl)-3-ethoxycarbonylbut-3-enoic acid
SYSTEMATIC NAME: 4-(2,3-dimethoxyphenyl)-3-ethoxycarbonyl-but-3-enoic acid
MOLECULAR FORMULA: C15H18O6
MOLECULAR WEIGHT: 294.29982
SMILES: CCOC(=O)C(=CC1=C(C(=CC=C1)OC)OC)CC(=O)O
Structure:
CAS RN: 83772-97-8
CAS Name: 1-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)methanimine
OPENEYE Name: 1-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)methanimine
IUPAC Name: 1-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)methanimine
SYSTEMATIC NAME: 1-(6-bromanyl-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)methanimine
MOLECULAR FORMULA: C15H12BrNO3
MOLECULAR WEIGHT: 334.16468
SMILES: COC1=CC=C(C=C1)N=CC2=CC3=C(C=C2Br)OCO3
Structure:
CAS RN: 4148-71-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H22O6
MOLECULAR WEIGHT: 370.39578
SMILES: COC1C2C(C3C(O1)COC(O3)C4=CC=CC=C4)OC(O2)C5=CC=CC=C5
Structure:
CAS RN: 57865-92-6
CAS Name: benzoic acid [4-acetamido-2-(bromomethyl)-6-methoxy-3-oxanyl] ester
OPENEYE Name: [4-acetamido-2-(bromomethyl)-6-methoxy-tetrahydropyran-3-yl] benzoate
IUPAC Name: [4-acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate
SYSTEMATIC NAME: [4-acetamido-2-(bromomethyl)-6-methoxy-oxan-3-yl] benzoate
MOLECULAR FORMULA: C16H20BrNO5
MOLECULAR WEIGHT: 386.2377
SMILES: CC(=O)NC1CC(OC(C1OC(=O)C2=CC=CC=C2)CBr)OC
Structure:
CAS RN: 63554-16-5
CAS Name: benzoic acid [4-acetamido-2-(bromomethyl)-6-methoxy-3-oxanyl] ester
OPENEYE Name: [4-acetamido-2-(bromomethyl)-6-methoxy-tetrahydropyran-3-yl] benzoate
IUPAC Name: [4-acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate
SYSTEMATIC NAME: [4-acetamido-2-(bromomethyl)-6-methoxy-oxan-3-yl] benzoate
MOLECULAR FORMULA: C16H20BrNO5
MOLECULAR WEIGHT: 386.2377
SMILES: CC(=O)NC1CC(OC(C1OC(=O)C2=CC=CC=C2)CBr)OC
Structure:
CAS RN: 6752-49-4
CAS Name: 6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-one
OPENEYE Name: 6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-one
IUPAC Name: 6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-one
SYSTEMATIC NAME: 6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-one
MOLECULAR FORMULA: C14H16O5
MOLECULAR WEIGHT: 264.27384
SMILES: COC1CC(=O)C2C(O1)COC(O2)C3=CC=CC=C3
Structure:
CAS RN: 35321-80-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H34O9
MOLECULAR WEIGHT: 478.53206
SMILES: CCC(C)C(=O)O[C@@H]1[C@@H]2[C@@]34COC2([C@H]([C@@H]([C@@H]3[C@@]5([C@@H](C[C@H]4OC1=O)C(=CC(=O)[C@H]5O)C)C)O)O)C
Structure:
CAS RN: 60195-69-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H48O10
MOLECULAR WEIGHT: 652.77102
SMILES: CCCCCCCCC[C@]12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6(C([C@@]4(O1)[C@@H]([C@H]([C@@]3(O2)C(=C)C)OC(=O)C7=CC=CC=C7)C)C=C(C6=O)C)O)O)CO
Structure:
CAS RN: 26286-54-4
CAS Name: 2-(1-imidazolyl)aniline
OPENEYE Name: 2-imidazol-1-ylaniline
IUPAC Name: 2-imidazol-1-ylaniline
SYSTEMATIC NAME: 2-imidazol-1-ylaniline
MOLECULAR FORMULA: C9H9N3
MOLECULAR WEIGHT: 159.18786
SMILES: C1=CC=C(C(=C1)N)N2C=CN=C2
Structure:
CAS RN: 2221-00-3
CAS Name: 4-(1-imidazolyl)aniline
OPENEYE Name: 4-imidazol-1-ylaniline
IUPAC Name: 4-imidazol-1-ylaniline
SYSTEMATIC NAME: 4-imidazol-1-ylaniline
MOLECULAR FORMULA: C9H9N3
MOLECULAR WEIGHT: 159.18786
SMILES: C1=CC(=CC=C1N)N2C=CN=C2
Structure:
CAS RN: 58658-77-8
CAS Name: 13-methyl-3-(2-oxiranylmethoxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
OPENEYE Name: 13-methyl-3-(oxiran-2-ylmethoxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
IUPAC Name: 13-methyl-3-(oxiran-2-ylmethoxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
SYSTEMATIC NAME: 13-methyl-3-(oxiran-2-ylmethoxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
MOLECULAR FORMULA: C21H26O3
MOLECULAR WEIGHT: 326.42934
SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OCC5CO5
Structure:
CAS RN: 16619-62-8
CAS Name: 2-(benzenesulfinyl)ethenylbenzene
OPENEYE Name: 2-(benzenesulfinyl)vinylbenzene
IUPAC Name: 2-(benzenesulfinyl)ethenylbenzene
SYSTEMATIC NAME: 2-(phenylsulfinyl)ethenylbenzene
MOLECULAR FORMULA: C14H12OS
MOLECULAR WEIGHT: 228.30948
SMILES: C1=CC=C(C=C1)C=CS(=O)C2=CC=CC=C2
Structure:
CAS RN: 61735-47-5
CAS Name: 1-(1-chloro-1-phenylpropan-2-yl)sulfinyl-4-methylbenzene
OPENEYE Name: 1-(2-chloro-1-methyl-2-phenyl-ethyl)sulfinyl-4-methyl-benzene
IUPAC Name: 1-(1-chloro-1-phenylpropan-2-yl)sulfinyl-4-methylbenzene
SYSTEMATIC NAME: 1-(1-chloranyl-1-phenyl-propan-2-yl)sulfinyl-4-methyl-benzene
MOLECULAR FORMULA: C16H17ClOS
MOLECULAR WEIGHT: 292.82358
SMILES: CC1=CC=C(C=C1)S(=O)C(C)C(C2=CC=CC=C2)Cl
Structure:
CAS RN: 61735-44-2
CAS Name: 1-(2-chloro-2-phenylethyl)sulfinyl-4-methylbenzene
OPENEYE Name: 1-(2-chloro-2-phenyl-ethyl)sulfinyl-4-methyl-benzene
IUPAC Name: 1-(2-chloro-2-phenylethyl)sulfinyl-4-methylbenzene
SYSTEMATIC NAME: 1-(2-chloranyl-2-phenyl-ethyl)sulfinyl-4-methyl-benzene
MOLECULAR FORMULA: C15H15ClOS
MOLECULAR WEIGHT: 278.797
SMILES: CC1=CC=C(C=C1)S(=O)CC(C2=CC=CC=C2)Cl
Structure:
CAS RN: 61735-45-3
CAS Name: [2-(benzenesulfinyl)-1-chloroethyl]benzene
OPENEYE Name: [2-(benzenesulfinyl)-1-chloro-ethyl]benzene
IUPAC Name: [2-(benzenesulfinyl)-1-chloroethyl]benzene
SYSTEMATIC NAME: [1-chloranyl-2-(phenylsulfinyl)ethyl]benzene
MOLECULAR FORMULA: C14H13ClOS
MOLECULAR WEIGHT: 264.77042
SMILES: C1=CC=C(C=C1)C(CS(=O)C2=CC=CC=C2)Cl
Structure:
CAS RN: 101834-45-1
CAS Name: 5-bromo-N,N-bis(2-chloroethyl)-2-oxo-1,3,2$l^{5}-oxazaphosphorinan-2-amine
OPENEYE Name: 5-bromo-N,N-bis(2-chloroethyl)-2-oxo-1,3,2$l^{5}-oxazaphosphinan-2-amine
IUPAC Name: 5-bromo-N,N-bis(2-chloroethyl)-2-oxo-1,3,2$l^{5}-oxazaphosphinan-2-amine
SYSTEMATIC NAME: 5-bromanyl-N,N-bis(2-chloroethyl)-2-oxidanylidene-1,3,2$l^{5}-oxazaphosphinan-2-amine
MOLECULAR FORMULA: C7H14BrCl2N2O2P
MOLECULAR WEIGHT: 339.982021
SMILES: C1C(COP(=O)(N1)N(CCCl)CCCl)Br
Structure:
CAS RN: 2091-02-3
CAS Name: N,N-bis(2-chloroethyl)-2-oxo-1,3,2$l^{5}-benzodioxaphosphol-2-amine
OPENEYE Name: N,N-bis(2-chloroethyl)-2-oxo-1,3,2$l^{5}-benzodioxaphosphol-2-amine
IUPAC Name: N,N-bis(2-chloroethyl)-2-oxo-1,3,2$l^{5}-benzodioxaphosphol-2-amine
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-2-oxidanylidene-1,3,2$l^{5}-benzodioxaphosphol-2-amine
MOLECULAR FORMULA: C10H12Cl2NO3P
MOLECULAR WEIGHT: 296.086941
SMILES: C1=CC=C2C(=C1)OP(=O)(O2)N(CCCl)CCCl
Structure:
CAS RN: 65838-75-7
CAS Name: 2-(benzenesulfinyl)-N-propan-2-ylbenzamide
OPENEYE Name: 2-(benzenesulfinyl)-N-isopropyl-benzamide
IUPAC Name: 2-(benzenesulfinyl)-N-propan-2-ylbenzamide
SYSTEMATIC NAME: 2-(phenylsulfinyl)-N-propan-2-yl-benzamide
MOLECULAR FORMULA: C16H17NO2S
MOLECULAR WEIGHT: 287.37668
SMILES: CC(C)NC(=O)C1=CC=CC=C1S(=O)C2=CC=CC=C2
Structure:
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