CAS RN: 109905-56-8
CAS Name: (1S,4R)-4-hydroxy-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-cyclopent-2-enecarbonitrile
OPENEYE Name: (1S,4R)-4-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclopent-2-ene-1-carbonitrile
IUPAC Name: (1S,4R)-4-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile
SYSTEMATIC NAME: (1S,4R)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-cyclopent-2-ene-1-carbonitrile
MOLECULAR FORMULA: C12H17NO7
MOLECULAR WEIGHT: 287.26588
SMILES: C1[C@H](C=C[C@@]1(C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
Structure:
CAS RN: 1199-54-8
CAS Name: (4R)-7-[(1S)-4-hydroxy-1,4-dimethyl-1-cyclohex-2-enyl]-7-methyl-2-oxaspiro[2.4]heptane-4,5-diol
OPENEYE Name: (4R)-7-[(1S)-4-hydroxy-1,4-dimethyl-cyclohex-2-en-1-yl]-7-methyl-2-oxaspiro[2.4]heptane-4,5-diol
IUPAC Name: (4R)-7-[(1S)-4-hydroxy-1,4-dimethylcyclohex-2-en-1-yl]-7-methyl-2-oxaspiro[2.4]heptane-4,5-diol
SYSTEMATIC NAME: (4R)-7-[(1S)-1,4-dimethyl-4-oxidanyl-cyclohex-2-en-1-yl]-7-methyl-2-oxaspiro[2.4]heptane-4,5-diol
MOLECULAR FORMULA: C15H24O4
MOLECULAR WEIGHT: 268.34866
SMILES: C[C@@]1(CCC(C=C1)(C)O)C2(CC([C@H](C23CO3)O)O)C
Structure:
CAS RN: 109847-05-4
CAS Name: 1,2-dimethylpyrido[3,4-b]indole
OPENEYE Name: 1,2-dimethylpyrido[3,4-b]indole
IUPAC Name: 1,2-dimethylpyrido[3,4-b]indole
SYSTEMATIC NAME: 1,2-dimethylpyrido[3,4-b]indole
MOLECULAR FORMULA: C13H12N2
MOLECULAR WEIGHT: 196.24778
SMILES: CC1=C2C(=C3C=CC=CC3=N2)C=CN1C
Structure:
CAS RN: 78903-70-5
CAS Name: 1,2-dimethylpyrido[3,4-b]indole
OPENEYE Name: 1,2-dimethylpyrido[3,4-b]indole
IUPAC Name: 1,2-dimethylpyrido[3,4-b]indole
SYSTEMATIC NAME: 1,2-dimethylpyrido[3,4-b]indole
MOLECULAR FORMULA: C13H12N2
MOLECULAR WEIGHT: 196.24778
SMILES: CC1=C2C(=C3C=CC=CC3=N2)C=CN1C
Structure:
CAS RN: 150641-14-8
CAS Name: 1-[amino-(methylthio)phosphoryl]oxyhexane
OPENEYE Name: 1-[amino(methylsulfanyl)phosphoryl]oxyhexane
IUPAC Name: 1-[amino(methylsulfanyl)phosphoryl]oxyhexane
SYSTEMATIC NAME: 1-[azanyl(methylsulfanyl)phosphoryl]oxyhexane
MOLECULAR FORMULA: C7H18NO2PS
MOLECULAR WEIGHT: 211.262081
SMILES: CCCCCCOP(=O)(N)SC
Structure:
CAS RN: 119812-43-0
CAS Name: (2S,3R,5R,9R,10R,13R,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
OPENEYE Name: (2S,3R,5R,9R,10R,13R,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(1R,2R)-1,2,5-trihydroxy-1,5-dimethyl-hexyl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
IUPAC Name: (2S,3R,5R,9R,10R,13R,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
SYSTEMATIC NAME: (2S,3R,5R,9R,10R,13R,17S)-10,13-dimethyl-17-[(2R,3R)-6-methyl-2,3,6-tris(oxidanyl)heptan-2-yl]-2,3,5,14-tetrakis(oxidanyl)-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
MOLECULAR FORMULA: C27H44O8
MOLECULAR WEIGHT: 496.63346
SMILES: C[C@]12CC[C@H]3C(=CC(=O)[C@@]4([C@@]3(C[C@@H]([C@@H](C4)O)O)C)O)C1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O
Structure:
CAS RN: 119798-44-6
CAS Name: (2S,3R,5S,9R,10R,13R,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,5,14-trihydroxy-10,13-dimethyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
OPENEYE Name: (2S,3R,5S,9R,10R,13R,17S)-17-[(1R,2R)-1,2-dihydroxy-1,5-dimethyl-hexyl]-2,5,14-trihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
IUPAC Name: (2S,3R,5S,9R,10R,13R,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,5,14-trihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
SYSTEMATIC NAME: (2S,3R,5S,9R,10R,13R,17S)-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-17-[(2R,3R)-6-methyl-2,3-bis(oxidanyl)heptan-2-yl]-2,5,14-tris(oxidanyl)-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
MOLECULAR FORMULA: C33H54O12
MOLECULAR WEIGHT: 642.77466
SMILES: CC(C)CC[C@H]([C@@](C)([C@H]1CCC2([C@@]1(CC[C@H]3C2=CC(=O)[C@]4([C@@]3(C[C@@H]([C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C)O)C)O)O)O
Structure:
CAS RN: 1197-85-9
CAS Name: (2S,3R,5R,9R,10R,13R,17S)-2,5,14-trihydroxy-10,13-dimethyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
OPENEYE Name: (2S,3R,5R,9R,10R,13R,17S)-2,5,14-trihydroxy-10,13-dimethyl-17-[(1R,2R)-1,2,5-trihydroxy-1,5-dimethyl-hexyl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
IUPAC Name: (2S,3R,5R,9R,10R,13R,17S)-2,5,14-trihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
SYSTEMATIC NAME: (2S,3R,5R,9R,10R,13R,17S)-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-17-[(2R,3R)-6-methyl-2,3,6-tris(oxidanyl)heptan-2-yl]-2,5,14-tris(oxidanyl)-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
MOLECULAR FORMULA: C33H54O13
MOLECULAR WEIGHT: 658.77406
SMILES: C[C@]12CC[C@H]3C(=CC(=O)[C@@]4([C@@]3(C[C@@H]([C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C)O)C1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O
Structure:
CAS RN: 119777-72-9
CAS Name: acetic acid (1,1-dibromo-2-hydroxyheptan-4-yl) ester
OPENEYE Name: (4,4-dibromo-3-hydroxy-1-propyl-butyl) acetate
IUPAC Name: (1,1-dibromo-2-hydroxyheptan-4-yl) acetate
SYSTEMATIC NAME: [1,1-bis(bromanyl)-2-oxidanyl-heptan-4-yl] ethanoate
MOLECULAR FORMULA: C9H16Br2O3
MOLECULAR WEIGHT: 332.02954
SMILES: CCCC(CC(C(Br)Br)O)OC(=O)C
Structure:
CAS RN: 119708-12-2
CAS Name: 1,2-dibromo-3,4,5,6-tetrachlorobenzene
OPENEYE Name: 1,2-dibromo-3,4,5,6-tetrachloro-benzene
IUPAC Name: 1,2-dibromo-3,4,5,6-tetrachlorobenzene
SYSTEMATIC NAME: 1,2-bis(bromanyl)-3,4,5,6-tetrakis(chloranyl)benzene
MOLECULAR FORMULA: C6Br2Cl4
MOLECULAR WEIGHT: 373.6842
SMILES: C1(=C(C(=C(C(=C1Cl)Br)Br)Cl)Cl)Cl
Structure:
CAS RN: 106689-81-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H27N5
MOLECULAR WEIGHT: 325.45118
SMILES: CCN(CC)CCCNC1=NC=C(C2=C1C3=C(N2C)C=CN=C3)C
Structure:
CAS RN: 1194-74-7
CAS Name: 4-hydroxybenzoic acid [(3R,3aS)-3-hydroxy-6-(hydroxymethyl)-8a-methyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] ester
OPENEYE Name: [(3R,3aS)-3-hydroxy-6-(hydroxymethyl)-3-isopropyl-8a-methyl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate
IUPAC Name: [(3R,3aS)-3-hydroxy-6-(hydroxymethyl)-8a-methyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate
SYSTEMATIC NAME: [(3R,3aS)-6-(hydroxymethyl)-8a-methyl-3-oxidanyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-oxidanylbenzoate
MOLECULAR FORMULA: C22H30O5
MOLECULAR WEIGHT: 374.4706
SMILES: CC(C)[C@@]1(CCC2([C@H]1C(CC(=CC2)CO)OC(=O)C3=CC=C(C=C3)O)C)O
Structure:
CAS RN: 1194-73-6
CAS Name: 4-hydroxybenzoic acid [(3R,3aS,4S,7S,8aR)-3,7-dihydroxy-8a-methyl-6-methylene-3-propan-2-yl-2,3a,4,5,7,8-hexahydro-1H-azulen-4-yl] ester
OPENEYE Name: [(3R,3aS,4S,7S,8aR)-3,7-dihydroxy-3-isopropyl-8a-methyl-6-methylene-2,3a,4,5,7,8-hexahydro-1H-azulen-4-yl] 4-hydroxybenzoate
IUPAC Name: [(3R,3aS,4S,7S,8aR)-3,7-dihydroxy-8a-methyl-6-methylidene-3-propan-2-yl-2,3a,4,5,7,8-hexahydro-1H-azulen-4-yl] 4-hydroxybenzoate
SYSTEMATIC NAME: [(3R,3aS,4S,7S,8aR)-8a-methyl-6-methylidene-3,7-bis(oxidanyl)-3-propan-2-yl-2,3a,4,5,7,8-hexahydro-1H-azulen-4-yl] 4-oxidanylbenzoate
MOLECULAR FORMULA: C22H30O5
MOLECULAR WEIGHT: 374.4706
SMILES: CC(C)[C@@]1(CC[C@]2([C@H]1[C@H](CC(=C)[C@H](C2)O)OC(=O)C3=CC=C(C=C3)O)C)O
Structure:
CAS RN: 1194-30-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H26O3
MOLECULAR WEIGHT: 350.45074
SMILES: C1C[C@@H]2[C@H]3CC[C@H](C3)[C@@]2(C1)C(=O)OCC4=COC(=C4)CC5=CC=CC=C5
Structure:
CAS RN: 109430-44-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H26O3
MOLECULAR WEIGHT: 350.45074
SMILES: C1C[C@@H]2[C@H]3CC[C@H](C3)[C@@]2(C1)C(=O)OCC4=COC(=C4)CC5=CC=CC=C5
Structure:
CAS RN: 119425-90-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H26O3
MOLECULAR WEIGHT: 350.45074
SMILES: C1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C1)C(=O)OCC4=COC(=C4)CC5=CC=CC=C5
Structure:
CAS RN: 119410-83-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H16O2
MOLECULAR WEIGHT: 180.24354
SMILES: C1C[C@H]2[C@@H](C1)[C@@H]3C[C@H]2C[C@H]3C(=O)O
Structure:
CAS RN: 119403-03-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H20O3
MOLECULAR WEIGHT: 260.3282
SMILES: C1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C1)C(=O)OCC4=CC=CO4
Structure:
CAS RN: 119269-31-7
CAS Name: 3-(2-methylphenoxy)-3-phenyl-1-propanamine
OPENEYE Name: 3-(2-methylphenoxy)-3-phenyl-propan-1-amine
IUPAC Name: 3-(2-methylphenoxy)-3-phenylpropan-1-amine
SYSTEMATIC NAME: 3-(2-methylphenoxy)-3-phenyl-propan-1-amine
MOLECULAR FORMULA: C16H19NO
MOLECULAR WEIGHT: 241.32816
SMILES: CC1=CC=CC=C1OC(CCN)C2=CC=CC=C2
Structure:
CAS RN: 104904-73-6
CAS Name: 7-hydroxy-2,3,3-trimethyl-2H-benzo[g]benzofuran-4,5-dione
OPENEYE Name: 7-hydroxy-2,3,3-trimethyl-2H-benzo[g]benzofuran-4,5-dione
IUPAC Name: 7-hydroxy-2,3,3-trimethyl-2H-benzo[g][1]benzofuran-4,5-dione
SYSTEMATIC NAME: 2,3,3-trimethyl-7-oxidanyl-2H-benzo[g][1]benzofuran-4,5-dione
MOLECULAR FORMULA: C15H14O4
MOLECULAR WEIGHT: 258.26926
SMILES: CC1C(C2=C(O1)C3=C(C=C(C=C3)O)C(=O)C2=O)(C)C
Structure:
CAS RN: 119256-85-8
CAS Name: propanoic acid [1,3-benzoxazol-2-yl-(2-chloro-6-fluorophenyl)methyl] ester
OPENEYE Name: [1,3-benzoxazol-2-yl-(2-chloro-6-fluoro-phenyl)methyl] propanoate
IUPAC Name: [1,3-benzoxazol-2-yl-(2-chloro-6-fluorophenyl)methyl] propanoate
SYSTEMATIC NAME: [1,3-benzoxazol-2-yl-(2-chloranyl-6-fluoranyl-phenyl)methyl] propanoate
MOLECULAR FORMULA: C17H13ClFNO3
MOLECULAR WEIGHT: 333.741423
SMILES: CCC(=O)OC(C1=C(C=CC=C1Cl)F)C2=NC3=CC=CC=C3O2
Structure:
CAS RN: 119189-41-2
CAS Name: N-propan-2-ylcarbamic acid [1,3-benzoxazol-2-yl-(2-chloro-6-fluorophenyl)methyl] ester
OPENEYE Name: [1,3-benzoxazol-2-yl-(2-chloro-6-fluoro-phenyl)methyl] N-isopropylcarbamate
IUPAC Name: [1,3-benzoxazol-2-yl-(2-chloro-6-fluorophenyl)methyl] N-propan-2-ylcarbamate
SYSTEMATIC NAME: [1,3-benzoxazol-2-yl-(2-chloranyl-6-fluoranyl-phenyl)methyl] N-propan-2-ylcarbamate
MOLECULAR FORMULA: C18H16ClFN2O3
MOLECULAR WEIGHT: 362.782643
SMILES: CC(C)NC(=O)OC(C1=C(C=CC=C1Cl)F)C2=NC3=CC=CC=C3O2
Structure:
CAS RN: 119188-49-7
CAS Name: N-methylcarbamic acid [(2-chlorophenyl)-(4,4-dimethyl-5H-oxazol-2-yl)methyl] ester
OPENEYE Name: [(2-chlorophenyl)-(4,4-dimethyl-5H-oxazol-2-yl)methyl] N-methylcarbamate
IUPAC Name: [(2-chlorophenyl)-(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl] N-methylcarbamate
SYSTEMATIC NAME: [(2-chlorophenyl)-(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl] N-methylcarbamate
MOLECULAR FORMULA: C14H17ClN2O3
MOLECULAR WEIGHT: 296.74938
SMILES: CC1(COC(=N1)C(C2=CC=CC=C2Cl)OC(=O)NC)C
Structure:
CAS RN: 119171-78-7
CAS Name: carbonic acid [1,3-benzoxazol-2-yl-(2-chlorophenyl)methyl] methyl ester
OPENEYE Name: [1,3-benzoxazol-2-yl-(2-chlorophenyl)methyl] methyl carbonate
IUPAC Name: [1,3-benzoxazol-2-yl-(2-chlorophenyl)methyl] methyl carbonate
SYSTEMATIC NAME: [1,3-benzoxazol-2-yl-(2-chlorophenyl)methyl] methyl carbonate
MOLECULAR FORMULA: C16H12ClNO4
MOLECULAR WEIGHT: 317.72378
SMILES: COC(=O)OC(C1=CC=CC=C1Cl)C2=NC3=CC=CC=C3O2
Structure:
CAS RN: 1190-88-1
CAS Name: N-(phenylsulfamoyl)carbamic acid (3,4,4-trimethyl-3-dioxetanyl)methyl ester
OPENEYE Name: (3,4,4-trimethyldioxetan-3-yl)methyl N-(phenylsulfamoyl)carbamate
IUPAC Name: (3,4,4-trimethyldioxetan-3-yl)methyl N-(phenylsulfamoyl)carbamate
SYSTEMATIC NAME: (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl N-(phenylsulfamoyl)carbamate
MOLECULAR FORMULA: C13H18N2O6S
MOLECULAR WEIGHT: 330.35682
SMILES: CC1(C(OO1)(C)COC(=O)NS(=O)(=O)NC2=CC=CC=C2)C
Structure:
CAS RN: 1190-29-0
CAS Name: carbonic acid (propan-2-ylideneamino) (3,4,4-trimethyl-3-dioxetanyl)methyl ester
OPENEYE Name: (isopropylideneamino) (3,4,4-trimethyldioxetan-3-yl)methyl carbonate
IUPAC Name: (propan-2-ylideneamino) (3,4,4-trimethyldioxetan-3-yl)methyl carbonate
SYSTEMATIC NAME: (propan-2-ylideneamino) (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl carbonate
MOLECULAR FORMULA: C10H17NO5
MOLECULAR WEIGHT: 231.24568
SMILES: CC(=NOC(=O)OCC1(C(OO1)(C)C)C)C
Structure:
CAS RN: 119001-43-3
CAS Name: carbonic acid dodecyl (3,4,4-trimethyl-3-dioxetanyl)methyl ester
OPENEYE Name: dodecyl (3,4,4-trimethyldioxetan-3-yl)methyl carbonate
IUPAC Name: dodecyl (3,4,4-trimethyldioxetan-3-yl)methyl carbonate
SYSTEMATIC NAME: dodecyl (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl carbonate
MOLECULAR FORMULA: C19H36O5
MOLECULAR WEIGHT: 344.48614
SMILES: CCCCCCCCCCCCOC(=O)OCC1(C(OO1)(C)C)C
Structure:
CAS RN: 118993-30-9
CAS Name: N-chlorosulfonylcarbamic acid (3,4,4-trimethyl-3-dioxetanyl)methyl ester
OPENEYE Name: (3,4,4-trimethyldioxetan-3-yl)methyl N-chlorosulfonylcarbamate
IUPAC Name: (3,4,4-trimethyldioxetan-3-yl)methyl N-chlorosulfonylcarbamate
SYSTEMATIC NAME: (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl N-chloranylsulfonylcarbamate
MOLECULAR FORMULA: C7H12ClNO6S
MOLECULAR WEIGHT: 273.69128
SMILES: CC1(C(OO1)(C)COC(=O)NS(=O)(=O)Cl)C
Structure:
CAS RN: 118-99-0
CAS Name: carbonochloridic acid (3,4,4-trimethyl-3-dioxetanyl)methyl ester
OPENEYE Name: (3,4,4-trimethyldioxetan-3-yl)methyl carbonochloridate
IUPAC Name: (3,4,4-trimethyldioxetan-3-yl)methyl carbonochloridate
SYSTEMATIC NAME: (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl carbonochloridate
MOLECULAR FORMULA: C7H11ClO4
MOLECULAR WEIGHT: 194.61284
SMILES: CC1(C(OO1)(C)COC(=O)Cl)C
Structure:
CAS RN: 118920-68-6
CAS Name: 2-[(2S)-6-hydroxy-6-methylheptan-2-yl]-5-methylphenol
OPENEYE Name: 2-[(1S)-5-hydroxy-1,5-dimethyl-hexyl]-5-methyl-phenol
IUPAC Name: 2-[(2S)-6-hydroxy-6-methylheptan-2-yl]-5-methylphenol
SYSTEMATIC NAME: 5-methyl-2-[(2S)-6-methyl-6-oxidanyl-heptan-2-yl]phenol
MOLECULAR FORMULA: C15H24O2
MOLECULAR WEIGHT: 236.34986
SMILES: CC1=CC(=C(C=C1)[C@@H](C)CCCC(C)(C)O)O
Structure:
CAS RN: 1188-09-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H32N2O4
MOLECULAR WEIGHT: 556.65028
SMILES: COC1=C(C2=C3C(=C1)CCNC3=C(C4=CC=CC=C42)C5=C6C7=C(C8=CC=CC=C85)C(=C(C=C7CCN6)OC)OC)OC
Structure:
CAS RN: 113425-58-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H32N2O4
MOLECULAR WEIGHT: 556.65028
SMILES: COC1=C(C2=C3C(=C1)CCNC3=C(C4=CC=CC=C42)C5=C6C7=C(C8=CC=CC=C85)C(=C(C=C7CCN6)OC)OC)OC
Structure:
CAS RN: 118797-76-5
CAS Name: (3R,5R)-3-[(1S)-1-[(2S,5R)-5-ethenyl-5-methyl-2-oxolanyl]ethyl]-5-propan-2-yl-3-dioxolanol
OPENEYE Name: (3R,5R)-5-isopropyl-3-[(1S)-1-[(2S,5R)-5-methyl-5-vinyl-tetrahydrofuran-2-yl]ethyl]dioxolan-3-ol
IUPAC Name: (3R,5R)-3-[(1S)-1-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]ethyl]-5-propan-2-yldioxolan-3-ol
SYSTEMATIC NAME: (3R,5R)-3-[(1S)-1-[(2S,5R)-5-ethenyl-5-methyl-oxolan-2-yl]ethyl]-5-propan-2-yl-1,2-dioxolan-3-ol
MOLECULAR FORMULA: C15H26O4
MOLECULAR WEIGHT: 270.36454
SMILES: C[C@@H]([C@@H]1CC[C@](O1)(C)C=C)[C@]2(C[C@@H](OO2)C(C)C)O
Structure:
CAS RN: 1187-93-5
CAS Name: 1-[5-bromo-3-methyl-2-(methylthio)-4-imidazolyl]-2-(5-methyl-2-pyrazinyl)-1-propanone
OPENEYE Name: 1-(5-bromo-3-methyl-2-methylsulfanyl-imidazol-4-yl)-2-(5-methylpyrazin-2-yl)propan-1-one
IUPAC Name: 1-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)-2-(5-methylpyrazin-2-yl)propan-1-one
SYSTEMATIC NAME: 1-(5-bromanyl-3-methyl-2-methylsulfanyl-imidazol-4-yl)-2-(5-methylpyrazin-2-yl)propan-1-one
MOLECULAR FORMULA: C13H15BrN4OS
MOLECULAR WEIGHT: 355.2534
SMILES: CC1=CN=C(C=N1)C(C)C(=O)C2=C(N=C(N2C)SC)Br
Structure:
CAS RN: 118790-71-9
CAS Name: 1-[5-bromo-3-methyl-2-(methylthio)-4-imidazolyl]-2-(5-methyl-2-pyrazinyl)ethanol
OPENEYE Name: 1-(5-bromo-3-methyl-2-methylsulfanyl-imidazol-4-yl)-2-(5-methylpyrazin-2-yl)ethanol
IUPAC Name: 1-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)-2-(5-methylpyrazin-2-yl)ethanol
SYSTEMATIC NAME: 1-(5-bromanyl-3-methyl-2-methylsulfanyl-imidazol-4-yl)-2-(5-methylpyrazin-2-yl)ethanol
MOLECULAR FORMULA: C12H15BrN4OS
MOLECULAR WEIGHT: 343.2427
SMILES: CC1=CN=C(C=N1)CC(C2=C(N=C(N2C)SC)Br)O
Structure:
CAS RN: 118788-41-3
CAS Name: 1-[5-bromo-3-methyl-2-(methylthio)-4-imidazolyl]-2-(5-methyl-2-pyrazinyl)ethanone
OPENEYE Name: 1-(5-bromo-3-methyl-2-methylsulfanyl-imidazol-4-yl)-2-(5-methylpyrazin-2-yl)ethanone
IUPAC Name: 1-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)-2-(5-methylpyrazin-2-yl)ethanone
SYSTEMATIC NAME: 1-(5-bromanyl-3-methyl-2-methylsulfanyl-imidazol-4-yl)-2-(5-methylpyrazin-2-yl)ethanone
MOLECULAR FORMULA: C12H13BrN4OS
MOLECULAR WEIGHT: 341.22682
SMILES: CC1=CN=C(C=N1)CC(=O)C2=C(N=C(N2C)SC)Br
Structure:
CAS RN: 108711-95-1
CAS Name: 1-[methoxy-(methylthio)phosphoryl]ethane
OPENEYE Name: 1-[methoxy(methylsulfanyl)phosphoryl]ethane
IUPAC Name: 1-[methoxy(methylsulfanyl)phosphoryl]ethane
SYSTEMATIC NAME: 1-[methoxy(methylsulfanyl)phosphoryl]ethane
MOLECULAR FORMULA: C4H11O2PS
MOLECULAR WEIGHT: 154.167701
SMILES: CCP(=O)(OC)SC
Structure:
CAS RN: 108711-96-2
CAS Name: 1-[methoxy-(methylthio)phosphoryl]ethane
OPENEYE Name: 1-[methoxy(methylsulfanyl)phosphoryl]ethane
IUPAC Name: 1-[methoxy(methylsulfanyl)phosphoryl]ethane
SYSTEMATIC NAME: 1-[methoxy(methylsulfanyl)phosphoryl]ethane
MOLECULAR FORMULA: C4H11O2PS
MOLECULAR WEIGHT: 154.167701
SMILES: CCP(=O)(OC)SC
Structure:
CAS RN: 108813-13-4
CAS Name: 1-[methoxy-(methylthio)phosphoryl]ethane
OPENEYE Name: 1-[methoxy(methylsulfanyl)phosphoryl]ethane
IUPAC Name: 1-[methoxy(methylsulfanyl)phosphoryl]ethane
SYSTEMATIC NAME: 1-[methoxy(methylsulfanyl)phosphoryl]ethane
MOLECULAR FORMULA: C4H11O2PS
MOLECULAR WEIGHT: 154.167701
SMILES: CCP(=O)(OC)SC
Structure:
CAS RN: 108693-42-1
CAS Name: (2,6-diethyl-N-oxidoanilino)-(2,6-diethylphenyl)-oxoammonium
OPENEYE Name: (2,6-diethyl-N-oxido-anilino)-(2,6-diethylphenyl)-oxo-ammonium
IUPAC Name: (2,6-diethyl-N-oxidoanilino)-(2,6-diethylphenyl)-oxoazanium
SYSTEMATIC NAME: (2,6-diethylphenyl)-[(2,6-diethylphenyl)-oxidanidyl-amino]-oxidanylidene-azanium
MOLECULAR FORMULA: C20H26N2O2
MOLECULAR WEIGHT: 326.43264
SMILES: CCC1=C(C(=CC=C1)CC)N([N+](=O)C2=C(C=CC=C2CC)CC)[O-]
Structure:
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