CAS RN: 59379-70-3
CAS Name: ammonium 4-hydroxy-2,3-di(nonyl)benzenesulfonate
OPENEYE Name: ammonium 4-hydroxy-2,3-di(nonyl)benzenesulfonate
IUPAC Name: azanium 4-hydroxy-2,3-di(nonyl)benzenesulfonate
SYSTEMATIC NAME: azanium 2,3-di(nonyl)-4-oxidanyl-benzenesulfonate
MOLECULAR FORMULA: C24H45NO4S
MOLECULAR WEIGHT: 443.6834
SMILES: CCCCCCCCCC1=C(C=CC(=C1CCCCCCCCC)S(=O)(=O)[O-])O.[NH4+]
Structure:
CAS RN: 66138-05-4
CAS Name: (2S,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-4,5-dihydroxy-2-oxaneca
OPENEYE Name: (2S,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-4,5-dihydroxy-te
IUPAC Name: (2S,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxane-2-carb
SYSTEMATIC NAME: (2S,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3R,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-4,5-bis(oxidanyl)oxan
MOLECULAR FORMULA: C41H64O13
MOLECULAR WEIGHT: 764.93906
SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H](O7)CO)O)O)O)O
Structure:
CAS RN: 66142-15-2
CAS Name: (2S,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-4,5-dihydroxy-2-oxaneca
OPENEYE Name: (2S,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-4,5-dihydroxy-te
IUPAC Name: (2S,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxane-2-carb
SYSTEMATIC NAME: (2S,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3R,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-4,5-bis(oxidanyl)oxan
MOLECULAR FORMULA: C41H64O13
MOLECULAR WEIGHT: 764.93906
SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H](O7)CO)O)O)O)O
Structure:
CAS RN: 66100-41-2
CAS Name: 1-[3-(4-chlorophenyl)propyl]piperazine
OPENEYE Name: 1-[3-(4-chlorophenyl)propyl]piperazine
IUPAC Name: 1-[3-(4-chlorophenyl)propyl]piperazine
SYSTEMATIC NAME: 1-[3-(4-chlorophenyl)propyl]piperazine
MOLECULAR FORMULA: C13H19ClN2
MOLECULAR WEIGHT: 238.75636
SMILES: C1CN(CCN1)CCCC2=CC=C(C=C2)Cl
Structure:
CAS RN: 66104-44-7
CAS Name: 1-[3-(4-chlorophenyl)propyl]piperazine
OPENEYE Name: 1-[3-(4-chlorophenyl)propyl]piperazine
IUPAC Name: 1-[3-(4-chlorophenyl)propyl]piperazine
SYSTEMATIC NAME: 1-[3-(4-chlorophenyl)propyl]piperazine
MOLECULAR FORMULA: C13H19ClN2
MOLECULAR WEIGHT: 238.75636
SMILES: C1CN(CCN1)CCCC2=CC=C(C=C2)Cl
Structure:
CAS RN: 6607-53-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H25NO2
MOLECULAR WEIGHT: 311.418
SMILES: C[C@H]1[C@H]2CC3=C([C@@]1(CCN2CC4=C(OC=C4)C)C)C=C(C=C3)O
Structure:
CAS RN: 66093-35-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H25NO2
MOLECULAR WEIGHT: 311.418
SMILES: C[C@H]1[C@H]2CC3=C([C@@]1(CCN2CC4=C(OC=C4)C)C)C=C(C=C3)O
Structure:
CAS RN: 65361-29-7
CAS Name: 2-[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,4-dihydro-2H-pyran-4-yl]acetic acid
OPENEYE Name: 2-[(2S,3R,4S)-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-vinyl-3,4-dihydro-2H-pyran-4-yl]acetic acid
IUPAC Name: 2-[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetic acid
SYSTEMATIC NAME: 2-[(2S,3R,4S)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-methoxycarbonyl-3,4-dihydro-2H-pyran-4-yl]ethanoic acid
MOLECULAR FORMULA: C17H24O11
MOLECULAR WEIGHT: 404.36586
SMILES: COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CC(=O)O)C=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Structure:
CAS RN: 58722-91-1
CAS Name: 7,7-dimethyloctanoic acid; 2-(2-hydroxyethylamino)ethanol
OPENEYE Name: 7,7-dimethyloctanoic acid; 2-(2-hydroxyethylamino)ethanol
IUPAC Name: 7,7-dimethyloctanoic acid; 2-(2-hydroxyethylamino)ethanol
SYSTEMATIC NAME: 7,7-dimethyloctanoic acid; 2-(2-hydroxyethylamino)ethanol
MOLECULAR FORMULA: C14H31NO4
MOLECULAR WEIGHT: 277.40024
SMILES: CC(C)(C)CCCCCC(=O)O.C(CO)NCCO
Structure:
CAS RN: 58580-55-5
CAS Name: (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2R,3R,6S)-3-amino-6-(aminomethyl)-2-oxanyl]oxy]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol sulfate
OPENEYE Name: (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-6-(hydroxymethyl)tetrahydropyran-3,5-diol sulfate
IUPAC Name: (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol sulfate
SYSTEMATIC NAME: (2S,3R,4S,5S,6R)-2-[(1S,2S,3R,4S,6R)-3-[(2R,3R,6S)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-4-azanyl-6-(hydroxymethyl)oxane-3,5-diol sulfate
MOLECULAR FORMULA: C18H37N5O12S-2
MOLECULAR WEIGHT: 547.57768
SMILES: C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)N.[O-]S(=O)(=O)[O-]
Structure:
CAS RN: 12736-89-9
CAS Name: 2-[[4-[(4-amino-3-methylphenyl)-(4-anilinophenyl)methylidene]-1-cyclohexa-2,5-dienylidene]amino]benzenesulfonic acid
OPENEYE Name: 2-[[4-[(4-amino-3-methyl-phenyl)-(4-anilinophenyl)methylene]cyclohexa-2,5-dien-1-ylidene]amino]benzenesulfonic acid
IUPAC Name: 2-[[4-[(4-amino-3-methylphenyl)-(4-anilinophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino]benzenesulfonic acid
SYSTEMATIC NAME: 2-[[4-[(4-azanyl-3-methyl-phenyl)-(4-phenylazanylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino]benzenesulfonic acid
MOLECULAR FORMULA: C32H27N3O3S
MOLECULAR WEIGHT: 533.64008
SMILES: CC1=C(C=CC(=C1)C(=C2C=CC(=NC3=CC=CC=C3S(=O)(=O)O)C=C2)C4=CC=C(C=C4)NC5=CC=CC=C5)N
Structure:
CAS RN: 65101-48-6
CAS Name: 2-[[4-[(4-amino-3-methylphenyl)-(4-anilinophenyl)methylidene]-1-cyclohexa-2,5-dienylidene]amino]benzenesulfonic acid
OPENEYE Name: 2-[[4-[(4-amino-3-methyl-phenyl)-(4-anilinophenyl)methylene]cyclohexa-2,5-dien-1-ylidene]amino]benzenesulfonic acid
IUPAC Name: 2-[[4-[(4-amino-3-methylphenyl)-(4-anilinophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino]benzenesulfonic acid
SYSTEMATIC NAME: 2-[[4-[(4-azanyl-3-methyl-phenyl)-(4-phenylazanylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino]benzenesulfonic acid
MOLECULAR FORMULA: C32H27N3O3S
MOLECULAR WEIGHT: 533.64008
SMILES: CC1=C(C=CC(=C1)C(=C2C=CC(=NC3=CC=CC=C3S(=O)(=O)O)C=C2)C4=CC=C(C=C4)NC5=CC=CC=C5)N
Structure:
CAS RN: 6504-88-7
CAS Name: 2-propanone; 1,1,2-trichloro-1,2,2-trifluoroethane
OPENEYE Name: acetone; 1,1,2-trichloro-1,2,2-trifluoro-ethane
IUPAC Name: propan-2-one; 1,1,2-trichloro-1,2,2-trifluoroethane
SYSTEMATIC NAME: propan-2-one; 1,1,2-tris(chloranyl)-1,2,2-tris(fluoranyl)ethane
MOLECULAR FORMULA: C5H6Cl3F3O
MOLECULAR WEIGHT: 245.45475
SMILES: CC(=O)C.C(C(F)(Cl)Cl)(F)(F)Cl
Structure:
CAS RN: 58479-68-8
CAS Name: (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [
OPENEYE Name: [(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3,5-dihydroxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-tetrahydropyran-2-yl] (4aR,5R,6a
IUPAC Name: [(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydro
SYSTEMATIC NAME: [(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-4-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14
MOLECULAR FORMULA: C57H92O28
MOLECULAR WEIGHT: 1225.32358
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@H]6[C@]([C@@]5(C[C@H]4O)C)(CC[C@@H]7[C@@]6(C[C@@H]([C@@H](C7(CO)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)(C)C)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO
Structure:
CAS RN: 52994-01-1
CAS Name: ammonium bis(2-methylphenoxy)-sulfanylidene-sulfidophosphorane
OPENEYE Name: ammonium bis(2-methylphenoxy)-sulfido-thioxo-$l^{5}-phosphane
IUPAC Name: azanium bis(2-methylphenoxy)-sulfanylidene-sulfido-$l^{5}-phosphane
SYSTEMATIC NAME: azanium bis(2-methylphenoxy)-sulfanidyl-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C14H18NO2PS2
MOLECULAR WEIGHT: 327.401981
SMILES: CC1=CC=CC=C1OP(=S)(OC2=CC=CC=C2C)[S-].[NH4+]
Structure:
CAS RN: 58302-43-5
CAS Name: sodium; cobalt(3+); 1-(2-oxido-5-sulfamoylphenyl)azo-2-naphthalenolate
OPENEYE Name: cobaltic sodium 1-(2-oxido-5-sulfamoyl-phenyl)azonaphthalen-2-olate
IUPAC Name: sodium; cobalt(3+); 1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate
SYSTEMATIC NAME: sodium; cobalt(3+); 1-[(2-oxidanidyl-5-sulfamoyl-phenyl)diazenyl]naphthalen-2-olate
MOLECULAR FORMULA: C32H22CoN6NaO8S2
MOLECULAR WEIGHT: 764.60545
SMILES: C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)S(=O)(=O)N)[O-])[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)S(=O)(=O)N)[O-])[O-].[Na+].[Co+3]
Structure:
CAS RN: 58298-77-4
CAS Name: (2S)-5-amino-2-(3,4-dihydroxyanilino)-5-oxopentanoic acid
OPENEYE Name: (2S)-5-amino-2-(3,4-dihydroxyanilino)-5-oxo-pentanoic acid
IUPAC Name: (2S)-5-amino-2-(3,4-dihydroxyanilino)-5-oxopentanoic acid
SYSTEMATIC NAME: (2S)-5-azanyl-2-[[3,4-bis(oxidanyl)phenyl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C11H14N2O5
MOLECULAR WEIGHT: 254.23926
SMILES: C1=CC(=C(C=C1N[C@@H](CCC(=O)N)C(=O)O)O)O
Structure:
CAS RN: 21712-45-8
CAS Name: acetonitrile; rhodium(3+); trichloride
OPENEYE Name: acetonitrile; rhodium(3+); trichloride
IUPAC Name: acetonitrile; rhodium(3+); trichloride
SYSTEMATIC NAME: ethanenitrile; rhodium(3+); trichloride
MOLECULAR FORMULA: C6H9Cl3N3Rh
MOLECULAR WEIGHT: 332.42026
SMILES: CC#N.CC#N.CC#N.[Cl-].[Cl-].[Cl-].[Rh+3]
Structure:
CAS RN: 63992-11-0
CAS Name: 1-[2-ethoxy-2-(3-pyridinyl)ethyl]-4-(2-methoxyphenyl)piperazine
OPENEYE Name: 1-[2-ethoxy-2-(3-pyridyl)ethyl]-4-(2-methoxyphenyl)piperazine
IUPAC Name: 1-(2-ethoxy-2-pyridin-3-ylethyl)-4-(2-methoxyphenyl)piperazine
SYSTEMATIC NAME: 1-(2-ethoxy-2-pyridin-3-yl-ethyl)-4-(2-methoxyphenyl)piperazine
MOLECULAR FORMULA: C20H27N3O2
MOLECULAR WEIGHT: 341.44728
SMILES: CCOC(CN1CCN(CC1)C2=CC=CC=C2OC)C3=CN=CC=C3
Structure:
CAS RN: 63992-14-3
CAS Name: 1-[2-ethoxy-2-(3-pyridinyl)ethyl]-4-(2-methoxyphenyl)piperazine
OPENEYE Name: 1-[2-ethoxy-2-(3-pyridyl)ethyl]-4-(2-methoxyphenyl)piperazine
IUPAC Name: 1-(2-ethoxy-2-pyridin-3-ylethyl)-4-(2-methoxyphenyl)piperazine
SYSTEMATIC NAME: 1-(2-ethoxy-2-pyridin-3-yl-ethyl)-4-(2-methoxyphenyl)piperazine
MOLECULAR FORMULA: C20H27N3O2
MOLECULAR WEIGHT: 341.44728
SMILES: CCOC(CN1CCN(CC1)C2=CC=CC=C2OC)C3=CN=CC=C3
Structure:
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