CAS RN: 56211-60-0
CAS Name: potassium titanium(4+) pentafluoride
OPENEYE Name: potassium titanium(4+) pentafluoride
IUPAC Name: potassium titanium(4+) pentafluoride
SYSTEMATIC NAME: potassium titanium(4+) pentafluoride
MOLECULAR FORMULA: F5KTi
MOLECULAR WEIGHT: 181.957316
SMILES: [F-].[F-].[F-].[F-].[F-].[K+].[Ti+4]
Structure:
CAS RN: 6343-83-5
CAS Name: (3S,9S,12S)-3-methyl-6-methylene-9-(3-phenylpropyl)-12-propan-2-yl-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone
OPENEYE Name: (3S,9S,12S)-12-isopropyl-3-methyl-6-methylene-9-(3-phenylpropyl)-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone
IUPAC Name: (3S,9S,12S)-3-methyl-6-methylidene-9-(3-phenylpropyl)-12-propan-2-yl-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone
SYSTEMATIC NAME: (3S,9S,12S)-3-methyl-6-methylidene-9-(3-phenylpropyl)-12-propan-2-yl-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone
MOLECULAR FORMULA: C22H29N3O5
MOLECULAR WEIGHT: 415.48276
SMILES: C[C@H]1C(=O)O[C@H](C(=O)N[C@H](C(=O)NC(=C)C(=O)N1)CCCC2=CC=CC=C2)C(C)C
Structure:
CAS RN: 7399-38-4
CAS Name: 3-imino-8,9-dimethoxy-5,6-dihydrothiazolo[4,3-a]isoquinoline-1-carbonitrile
OPENEYE Name: 3-imino-8,9-dimethoxy-5,6-dihydrothiazolo[4,3-a]isoquinoline-1-carbonitrile
IUPAC Name: 3-imino-8,9-dimethoxy-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinoline-1-carbonitrile
SYSTEMATIC NAME: 3-azanylidene-8,9-dimethoxy-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinoline-1-carbonitrile
MOLECULAR FORMULA: C14H13N3O2S
MOLECULAR WEIGHT: 287.33692
SMILES: COC1=C(C=C2C(=C1)CCN3C2=C(SC3=N)C#N)OC
Structure:
CAS RN: 55393-37-8
CAS Name: 3-imino-8,9-dimethoxy-5,6-dihydrothiazolo[4,3-a]isoquinoline-1-carbonitrile
OPENEYE Name: 3-imino-8,9-dimethoxy-5,6-dihydrothiazolo[4,3-a]isoquinoline-1-carbonitrile
IUPAC Name: 3-imino-8,9-dimethoxy-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinoline-1-carbonitrile
SYSTEMATIC NAME: 3-azanylidene-8,9-dimethoxy-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinoline-1-carbonitrile
MOLECULAR FORMULA: C14H13N3O2S
MOLECULAR WEIGHT: 287.33692
SMILES: COC1=C(C=C2C(=C1)CCN3C2=C(SC3=N)C#N)OC
Structure:
CAS RN: 6338-62-1
CAS Name: (6R,7R)-7-[[2-amino-2-(1,3-benzodioxol-5-yl)-1-oxoethyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7R)-7-[[2-amino-2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7R)-7-[[2-amino-2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-7-[[2-azanyl-2-(1,3-benzodioxol-5-yl)ethanoyl]amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C17H17N3O6S
MOLECULAR WEIGHT: 391.39838
SMILES: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(C3=CC4=C(C=C3)OCO4)N)SC1)C(=O)O
Structure:
CAS RN: 6338-63-2
CAS Name: (6R,7R)-7-[[2-amino-2-(1,3-benzodioxol-5-yl)-1-oxoethyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7R)-7-[[2-amino-2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7R)-7-[[2-amino-2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-7-[[2-azanyl-2-(1,3-benzodioxol-5-yl)ethanoyl]amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C17H17N3O6S
MOLECULAR WEIGHT: 391.39838
SMILES: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(C3=CC4=C(C=C3)OCO4)N)SC1)C(=O)O
Structure:
CAS RN: 54940-97-5
CAS Name: (2S)-2-amino-5-(carbamoylamino)pentanoic acid; 2-hydroxybutanedioic acid
OPENEYE Name: (2S)-2-amino-5-ureido-pentanoic acid; 2-hydroxybutanedioic acid
IUPAC Name: (2S)-2-amino-5-(carbamoylamino)pentanoic acid; 2-hydroxybutanedioic acid
SYSTEMATIC NAME: (2S)-5-(aminocarbonylamino)-2-azanyl-pentanoic acid; 2-oxidanylbutanedioic acid
MOLECULAR FORMULA: C10H19N3O8
MOLECULAR WEIGHT: 309.27316
SMILES: C(C[C@@H](C(=O)O)N)CNC(=O)N.C(C(C(=O)O)O)C(=O)O
Structure:
CAS RN: 19432-69-0
CAS Name: 3-amino-N-[2-(3,4-dihydroxyphenyl)ethyl]propanamide
OPENEYE Name: 3-amino-N-[2-(3,4-dihydroxyphenyl)ethyl]propanamide
IUPAC Name: 3-amino-N-[2-(3,4-dihydroxyphenyl)ethyl]propanamide
SYSTEMATIC NAME: 3-azanyl-N-[2-[3,4-bis(oxidanyl)phenyl]ethyl]propanamide
MOLECULAR FORMULA: C11H16N2O3
MOLECULAR WEIGHT: 224.25634
SMILES: C1=CC(=C(C=C1CCNC(=O)CCN)O)O
Structure:
CAS RN: 63148-99-2
CAS Name: benzene-1,2,4,5-tetracarboxylic acid; 2-phenyl-4,5-dihydro-1H-imidazole
OPENEYE Name: benzene-1,2,4,5-tetracarboxylic acid; 2-phenyl-4,5-dihydro-1H-imidazole
IUPAC Name: benzene-1,2,4,5-tetracarboxylic acid; 2-phenyl-4,5-dihydro-1H-imidazole
SYSTEMATIC NAME: benzene-1,2,4,5-tetracarboxylic acid; 2-phenyl-4,5-dihydro-1H-imidazole
MOLECULAR FORMULA: C28H26N4O8
MOLECULAR WEIGHT: 546.52804
SMILES: C1CN=C(N1)C2=CC=CC=C2.C1CN=C(N1)C2=CC=CC=C2.C1=C(C(=CC(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O
Structure:
CAS RN: 6314-63-2
CAS Name: (2S)-2-amino-2-[(4S,5R)-3-chloro-4-hydroxy-4,5-dihydroisoxazol-5-yl]acetic acid
OPENEYE Name: (2S)-2-amino-2-[(4S,5R)-3-chloro-4-hydroxy-4,5-dihydroisoxazol-5-yl]acetic acid
IUPAC Name: (2S)-2-amino-2-[(4S,5R)-3-chloro-4-hydroxy-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
SYSTEMATIC NAME: (2S)-2-azanyl-2-[(4S,5R)-3-chloranyl-4-oxidanyl-4,5-dihydro-1,2-oxazol-5-yl]ethanoic acid
MOLECULAR FORMULA: C5H7ClN2O4
MOLECULAR WEIGHT: 194.57308
SMILES: [C@@H]1([C@H](ON=C1Cl)[C@@H](C(=O)O)N)O
Structure:
CAS RN: 6314-64-3
CAS Name: (2S)-2-amino-2-[(4S,5R)-3-chloro-4-hydroxy-4,5-dihydroisoxazol-5-yl]acetic acid
OPENEYE Name: (2S)-2-amino-2-[(4S,5R)-3-chloro-4-hydroxy-4,5-dihydroisoxazol-5-yl]acetic acid
IUPAC Name: (2S)-2-amino-2-[(4S,5R)-3-chloro-4-hydroxy-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
SYSTEMATIC NAME: (2S)-2-azanyl-2-[(4S,5R)-3-chloranyl-4-oxidanyl-4,5-dihydro-1,2-oxazol-5-yl]ethanoic acid
MOLECULAR FORMULA: C5H7ClN2O4
MOLECULAR WEIGHT: 194.57308
SMILES: [C@@H]1([C@H](ON=C1Cl)[C@@H](C(=O)O)N)O
Structure:
CAS RN: 54425-30-8
CAS Name: molybdenum; titanium; tungsten; vanadium
OPENEYE Name: molybdenum; titanium; tungsten; vanadium
IUPAC Name: molybdenum; titanium; tungsten; vanadium
SYSTEMATIC NAME: molybdenum; titanium; tungsten; vanadium
MOLECULAR FORMULA: Mo4Ti3V3W10
MOLECULAR WEIGHT: 2518.5855
SMILES: [Ti].[Ti].[Ti].[V].[V].[V].[Mo].[Mo].[Mo].[Mo].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W]
Structure:
CAS RN: 54324-99-1
CAS Name: acetic acid (4,6,6-trimethyl-7-bicyclo[3.1.1]hept-3-enyl) ester
OPENEYE Name: (4,6,6-trimethyl-7-bicyclo[3.1.1]hept-3-enyl) acetate
IUPAC Name: (4,6,6-trimethyl-7-bicyclo[3.1.1]hept-3-enyl) acetate
SYSTEMATIC NAME: (4,6,6-trimethyl-7-bicyclo[3.1.1]hept-3-enyl) ethanoate
MOLECULAR FORMULA: C12H18O2
MOLECULAR WEIGHT: 194.27012
SMILES: CC1=CCC2C(C1C2(C)C)OC(=O)C
Structure:
CAS RN: 6284-28-2
CAS Name: [[(2R,3S,4R,5S)-5-(2,4-dioxo-1-pyridinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5S)-5-(2,4-dioxo-1-pyridyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5S)-5-(2,4-dioxopyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5S)-5-[2,4-bis(oxidanylidene)pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C10H16NO15P3
MOLECULAR WEIGHT: 483.153023
SMILES: C1C(=O)C=CN(C1=O)[C@@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
Structure:
CAS RN: 6284-31-7
CAS Name: [[(2R,3S,4R,5S)-5-(2,4-dioxo-1-pyridinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5S)-5-(2,4-dioxo-1-pyridyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5S)-5-(2,4-dioxopyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5S)-5-[2,4-bis(oxidanylidene)pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C10H16NO15P3
MOLECULAR WEIGHT: 483.153023
SMILES: C1C(=O)C=CN(C1=O)[C@@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
Structure:
CAS RN: 60966-25-8
CAS Name: (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[(2R)-6-methyl-2-[(6R,10R,12S,13R,14R,17S)-3,6,12-trihydroxy-4,4,10,14,17-pentamethyl-2,3,5,6,7,8,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxyoxane-3,4,5-triol
OPENEYE Name: (2S,3R,4R,5S,6R)-2-[(1R)-1,5-dimethyl-1-[(6R,10R,12S,13R,14R,17S)-3,6,12-trihydroxy-4,4,10,14,17-pentamethyl-2,3,5,6,7,8,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hex-4-enoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[(2R)-6-methyl-2-[(6R,10R,12S,13R,14R,17S)-3,6,12-trihydroxy-4,4,10,14,17-pentamethyl-2,3,5,6,7,8,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxyoxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[(2R)-6-methyl-2-[(6R,10R,12S,13R,14R,17S)-4,4,10,14,17-pentamethyl-3,6,12-tris(oxidanyl)-2,3,5,6,7,8,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C36H62O9
MOLECULAR WEIGHT: 638.87208
SMILES: CC(=CCC[C@](C)([C@]1(CC[C@]2([C@H]1[C@H](CC3C2C[C@H](C4[C@@]3(CCC(C4(C)C)O)C)O)O)C)C)O[C@H]5[C@@H]([C@@H]([C@@H]([C@H](O5)CO)O)O)O)C
Structure:
CAS RN: 60967-88-6
CAS Name: (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[(2R)-6-methyl-2-[(6R,10R,12S,13R,14R,17S)-3,6,12-trihydroxy-4,4,10,14,17-pentamethyl-2,3,5,6,7,8,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxyoxane-3,4,5-triol
OPENEYE Name: (2S,3R,4R,5S,6R)-2-[(1R)-1,5-dimethyl-1-[(6R,10R,12S,13R,14R,17S)-3,6,12-trihydroxy-4,4,10,14,17-pentamethyl-2,3,5,6,7,8,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hex-4-enoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[(2R)-6-methyl-2-[(6R,10R,12S,13R,14R,17S)-3,6,12-trihydroxy-4,4,10,14,17-pentamethyl-2,3,5,6,7,8,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxyoxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[(2R)-6-methyl-2-[(6R,10R,12S,13R,14R,17S)-4,4,10,14,17-pentamethyl-3,6,12-tris(oxidanyl)-2,3,5,6,7,8,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C36H62O9
MOLECULAR WEIGHT: 638.87208
SMILES: CC(=CCC[C@](C)([C@]1(CC[C@]2([C@H]1[C@H](CC3C2C[C@H](C4[C@@]3(CCC(C4(C)C)O)C)O)O)C)C)O[C@H]5[C@@H]([C@@H]([C@@H]([C@H](O5)CO)O)O)O)C
Structure:
CAS RN: 60774-06-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H13NO3
MOLECULAR WEIGHT: 279.29002
SMILES: COC1=C(C2=C3C(=C1)C(=O)NC3=CC4=CC=CC=C42)OC
Structure:
CAS RN: 60343-54-6
CAS Name: 4-[4-[4-(4-aminophenyl)phenyl]phenyl]aniline
OPENEYE Name: 4-[4-[4-(4-aminophenyl)phenyl]phenyl]aniline
IUPAC Name: 4-[4-[4-(4-aminophenyl)phenyl]phenyl]aniline
SYSTEMATIC NAME: 4-[4-[4-(4-aminophenyl)phenyl]phenyl]aniline
MOLECULAR FORMULA: C24H20N2
MOLECULAR WEIGHT: 336.429
SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)C3=CC=C(C=C3)N)C4=CC=C(C=C4)N
Structure:
CAS RN: 60343-58-0
CAS Name: 4-[4-[4-(4-aminophenyl)phenyl]phenyl]aniline
OPENEYE Name: 4-[4-[4-(4-aminophenyl)phenyl]phenyl]aniline
IUPAC Name: 4-[4-[4-(4-aminophenyl)phenyl]phenyl]aniline
SYSTEMATIC NAME: 4-[4-[4-(4-aminophenyl)phenyl]phenyl]aniline
MOLECULAR FORMULA: C24H20N2
MOLECULAR WEIGHT: 336.429
SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)C3=CC=C(C=C3)N)C4=CC=C(C=C4)N
Structure:
CAS RN: 60146-72-7
CAS Name: 2-[4-(2,4-difluorophenyl)phenyl]acetic acid
OPENEYE Name: 2-[4-(2,4-difluorophenyl)phenyl]acetic acid
IUPAC Name: 2-[4-(2,4-difluorophenyl)phenyl]acetic acid
SYSTEMATIC NAME: 2-[4-[2,4-bis(fluoranyl)phenyl]phenyl]ethanoic acid
MOLECULAR FORMULA: C14H10F2O2
MOLECULAR WEIGHT: 248.224806
SMILES: C1=CC(=CC=C1CC(=O)O)C2=C(C=C(C=C2)F)F
Structure:
CAS RN: 60148-50-7
CAS Name: 2-[4-(2,4-difluorophenyl)phenyl]acetic acid
OPENEYE Name: 2-[4-(2,4-difluorophenyl)phenyl]acetic acid
IUPAC Name: 2-[4-(2,4-difluorophenyl)phenyl]acetic acid
SYSTEMATIC NAME: 2-[4-[2,4-bis(fluoranyl)phenyl]phenyl]ethanoic acid
MOLECULAR FORMULA: C14H10F2O2
MOLECULAR WEIGHT: 248.224806
SMILES: C1=CC(=CC=C1CC(=O)O)C2=C(C=C(C=C2)F)F
Structure:
CAS RN: 6011-49-0
CAS Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-yl]oxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6R)-6-[1-[(2-allyloxyphenoxy)methyl]-2-(isopropylamino)ethoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-yl]oxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-3,4,5-tris(oxidanyl)-6-[1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-yl]oxy-oxane-2-carboxylic acid
MOLECULAR FORMULA: C21H31NO9
MOLECULAR WEIGHT: 441.47214
SMILES: CC(C)NCC(COC1=CC=CC=C1OCC=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
Structure:
CAS RN: 6011-55-8
CAS Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-yl]oxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6R)-6-[1-[(2-allyloxyphenoxy)methyl]-2-(isopropylamino)ethoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-yl]oxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-3,4,5-tris(oxidanyl)-6-[1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-yl]oxy-oxane-2-carboxylic acid
MOLECULAR FORMULA: C21H31NO9
MOLECULAR WEIGHT: 441.47214
SMILES: CC(C)NCC(COC1=CC=CC=C1OCC=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
Structure:
CAS RN: 58104-35-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H29BrClN3O3
MOLECULAR WEIGHT: 498.84096
SMILES: CN1CC[C@@]23C[C@@H](CC=C2OC4=C3C(=CC(=C4)OC)C1)O.C1=CN=CC=C1N.Cl.Br
Structure:
CAS RN: 58110-73-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H29BrClN3O3
MOLECULAR WEIGHT: 498.84096
SMILES: CN1CC[C@@]23C[C@@H](CC=C2OC4=C3C(=CC(=C4)OC)C1)O.C1=CN=CC=C1N.Cl.Br
Structure:
CAS RN: 78405-39-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H2Cl10
MOLECULAR WEIGHT: 476.65288
SMILES: C12C3(C(C4(C1(C5(C4(C3(C2(C5(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl
Structure:
CAS RN: 53207-72-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H2Cl10
MOLECULAR WEIGHT: 476.65288
SMILES: C12C3(C(C4(C1(C5(C4(C3(C2(C5(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl
Structure:
CAS RN: 57193-14-3
CAS Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid [(4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] ester
OPENEYE Name: [(4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
IUPAC Name: [(4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
SYSTEMATIC NAME: [(4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxidanylidene-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoate
MOLECULAR FORMULA: C31H42Cl2N2O3
MOLECULAR WEIGHT: 561.58278
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)N4)C)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl
Structure:
CAS RN: 57194-38-4
CAS Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid [(4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] ester
OPENEYE Name: [(4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
IUPAC Name: [(4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
SYSTEMATIC NAME: [(4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxidanylidene-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoate
MOLECULAR FORMULA: C31H42Cl2N2O3
MOLECULAR WEIGHT: 561.58278
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)N4)C)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl
Structure:
CAS RN: 122042-10-8
CAS Name: chromium(3+); 7-(dioxidoamino)-3-oxo-4-[(2-oxo-1-naphthalenylidene)hydrazinylidene]-1-naphthalenesulfonate; hydron; 7-nitro-3-oxido-4-[(2-oxido-1-naphthalenyl)azo]-1-naphthalenesulfonate
OPENEYE Name: chromic; 7-(dioxidoamino)-3-oxo-4-[(2-oxo-1-naphthylidene)hydrazono]naphthalene-1-sulfonate; hydron; 7-nitro-3-oxido-4-[(2-oxido-1-naphthyl)azo]naphthalene-1-sulfonate
IUPAC Name: chromium(3+); 7-(dioxidoamino)-3-oxo-4-[(2-oxonaphthalen-1-ylidene)hydrazinylidene]naphthalene-1-sulfonate; hydron; 7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate
SYSTEMATIC NAME: 7-[bis(oxidanidyl)amino]-3-oxidanylidene-4-[(2-oxidanylidenenaphthalen-1-ylidene)hydrazinylidene]naphthalene-1-sulfonate; chromium(3+); hydron; 7-nitro-3-oxidanidyl-4-[(2-oxidanidylnaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate
MOLECULAR FORMULA: C40H23CrN6O14S2
MOLECULAR WEIGHT: 927.76852
SMILES: [H+].[H+].[H+].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C=CC(=CC4=C(C=C3[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-].C1=CC=C2C(=C1)C=CC(=O)C2=NN=C3C4=C(C=C(C=C4)N([O-])[O-])C(=CC3=O)S(=O)(=O)[O-].[Cr+3]
Structure:
CAS RN: 53036-47-8
CAS Name: chromium(3+); 7-(dioxidoamino)-3-oxo-4-[(2-oxo-1-naphthalenylidene)hydrazinylidene]-1-naphthalenesulfonate; hydron; 7-nitro-3-oxido-4-[(2-oxido-1-naphthalenyl)azo]-1-naphthalenesulfonate
OPENEYE Name: chromic; 7-(dioxidoamino)-3-oxo-4-[(2-oxo-1-naphthylidene)hydrazono]naphthalene-1-sulfonate; hydron; 7-nitro-3-oxido-4-[(2-oxido-1-naphthyl)azo]naphthalene-1-sulfonate
IUPAC Name: chromium(3+); 7-(dioxidoamino)-3-oxo-4-[(2-oxonaphthalen-1-ylidene)hydrazinylidene]naphthalene-1-sulfonate; hydron; 7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate
SYSTEMATIC NAME: 7-[bis(oxidanidyl)amino]-3-oxidanylidene-4-[(2-oxidanylidenenaphthalen-1-ylidene)hydrazinylidene]naphthalene-1-sulfonate; chromium(3+); hydron; 7-nitro-3-oxidanidyl-4-[(2-oxidanidylnaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate
MOLECULAR FORMULA: C40H23CrN6O14S2
MOLECULAR WEIGHT: 927.76852
SMILES: [H+].[H+].[H+].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C=CC(=CC4=C(C=C3[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-].C1=CC=C2C(=C1)C=CC(=O)C2=NN=C3C4=C(C=C(C=C4)N([O-])[O-])C(=CC3=O)S(=O)(=O)[O-].[Cr+3]
Structure:
CAS RN: 57155-57-4
CAS Name: acetic acid [(1R,8R,9S,10R,14S)-13-ethyl-17-ethynyl-17-hydroxy-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-1-yl] ester
OPENEYE Name: [(1R,8R,9S,10R,14S)-13-ethyl-17-ethynyl-17-hydroxy-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-1-yl] acetate
IUPAC Name: [(1R,8R,9S,10R,14S)-13-ethyl-17-ethynyl-17-hydroxy-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-1-yl] acetate
SYSTEMATIC NAME: [(1R,8R,9S,10R,14S)-13-ethyl-17-ethynyl-17-oxidanyl-3-oxidanylidene-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-1-yl] ethanoate
MOLECULAR FORMULA: C23H30O4
MOLECULAR WEIGHT: 370.4819
SMILES: CCC12CC[C@H]3[C@H]([C@@H]1CCC2(C#C)O)CCC4=CC(=O)C[C@H]([C@H]34)OC(=O)C
Structure:
CAS RN: 57155-85-8
CAS Name: acetic acid [(1R,8R,9S,10R,14S)-13-ethyl-17-ethynyl-17-hydroxy-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-1-yl] ester
OPENEYE Name: [(1R,8R,9S,10R,14S)-13-ethyl-17-ethynyl-17-hydroxy-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-1-yl] acetate
IUPAC Name: [(1R,8R,9S,10R,14S)-13-ethyl-17-ethynyl-17-hydroxy-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-1-yl] acetate
SYSTEMATIC NAME: [(1R,8R,9S,10R,14S)-13-ethyl-17-ethynyl-17-oxidanyl-3-oxidanylidene-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-1-yl] ethanoate
MOLECULAR FORMULA: C23H30O4
MOLECULAR WEIGHT: 370.4819
SMILES: CCC12CC[C@H]3[C@H]([C@@H]1CCC2(C#C)O)CCC4=CC(=O)C[C@H]([C@H]34)OC(=O)C
Structure:
CAS RN: 52833-73-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H12F3NS
MOLECULAR WEIGHT: 355.37619
SMILES: C1C2=C(C3=C(S1)C(=CC=C3)C(F)(F)F)NC4=C2C5=CC=CC=C5C=C4
Structure:
No comments:
Post a Comment