CAS RN: 80568-55-4
CAS Name: 1-[2-(diethylamino)ethylamino]-5-methoxy-4-methyl-9-thioxanthenone
OPENEYE Name: 1-[2-(diethylamino)ethylamino]-5-methoxy-4-methyl-thioxanthen-9-one
IUPAC Name: 1-[2-(diethylamino)ethylamino]-5-methoxy-4-methylthioxanthen-9-one
SYSTEMATIC NAME: 1-[2-(diethylamino)ethylamino]-5-methoxy-4-methyl-thioxanthen-9-one
MOLECULAR FORMULA: C21H26N2O2S
MOLECULAR WEIGHT: 370.50834
SMILES: CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=CC=C3OC
Structure:
CAS RN: 82475-61-4
CAS Name: N,N-bis(2-chloroethyl)carbamic acid [methyl(diphenyl)silyl] ester
OPENEYE Name: [methyl(diphenyl)silyl] N,N-bis(2-chloroethyl)carbamate
IUPAC Name: [methyl(diphenyl)silyl] N,N-bis(2-chloroethyl)carbamate
SYSTEMATIC NAME: [methyl(diphenyl)silyl] N,N-bis(2-chloroethyl)carbamate
MOLECULAR FORMULA: C18H21Cl2NO2Si
MOLECULAR WEIGHT: 382.35634
SMILES: C[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)N(CCCl)CCCl
Structure:
CAS RN: 61836-43-9
CAS Name: 8-hydroxy-2-(8-hydroxy-1,4-dioxo-2-naphthalenyl)naphthalene-1,4-dione
OPENEYE Name: 8-hydroxy-2-(8-hydroxy-1,4-dioxo-2-naphthyl)naphthalene-1,4-dione
IUPAC Name: 8-hydroxy-2-(8-hydroxy-1,4-dioxonaphthalen-2-yl)naphthalene-1,4-dione
SYSTEMATIC NAME: 8-oxidanyl-2-[8-oxidanyl-1,4-bis(oxidanylidene)naphthalen-2-yl]naphthalene-1,4-dione
MOLECULAR FORMULA: C20H10O6
MOLECULAR WEIGHT: 346.2898
SMILES: C1=CC2=C(C(=C1)O)C(=O)C(=CC2=O)C3=CC(=O)C4=C(C3=O)C(=CC=C4)O
Structure:
CAS RN: 67377-76-8
CAS Name: 2-(4-amino-1-imidazo[4,5-c]pyridinyl)-5-[(2-methylpropylthio)methyl]oxolane-3,4-diol
OPENEYE Name: 2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(isobutylsulfanylmethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(4-azanylimidazo[4,5-c]pyridin-1-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C15H22N4O3S
MOLECULAR WEIGHT: 338.42518
SMILES: CC(C)CSCC1C(C(C(O1)N2C=NC3=C2C=CN=C3N)O)O
Structure:
CAS RN: 52166-97-9
CAS Name: N,N-dimethyl-4-(1-pyrenyliminomethyl)aniline
OPENEYE Name: N,N-dimethyl-4-(pyren-1-yliminomethyl)aniline
IUPAC Name: N,N-dimethyl-4-(pyren-1-yliminomethyl)aniline
SYSTEMATIC NAME: N,N-dimethyl-4-(pyren-1-yliminomethyl)aniline
MOLECULAR FORMULA: C25H20N2
MOLECULAR WEIGHT: 348.4397
SMILES: CN(C)C1=CC=C(C=C1)C=NC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2
Structure:
CAS RN: 77462-00-1
CAS Name: 4-[[bis(2-diphenylphosphinoethyl)amino]-oxomethyl]phthalic acid
OPENEYE Name: 4-[bis(2-diphenylphosphanylethyl)carbamoyl]phthalic acid
IUPAC Name: 4-[bis(2-diphenylphosphanylethyl)carbamoyl]phthalic acid
SYSTEMATIC NAME: 4-[bis(2-diphenylphosphanylethyl)carbamoyl]phthalic acid
MOLECULAR FORMULA: C37H33NO5P2
MOLECULAR WEIGHT: 633.609142
SMILES: C1=CC=C(C=C1)P(CCN(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)C(=O)O)C(=O)O)C5=CC=CC=C5
Structure:
CAS RN: 57519-99-0
CAS Name: 2-hydroxy-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]propanoic acid
OPENEYE Name: 2-hydroxy-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]propanoic acid
IUPAC Name: 2-hydroxy-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propanoic acid
SYSTEMATIC NAME: 3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-2-oxidanyl-propanoic acid
MOLECULAR FORMULA: C9H13N3O5S
MOLECULAR WEIGHT: 275.28162
SMILES: C1COCCN1C2=NSN=C2OCC(C(=O)O)O
Structure:
CAS RN: 82475-67-0
CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid [tert-butyl(dimethyl)silyl] ester
OPENEYE Name: [tert-butyl(dimethyl)silyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
IUPAC Name: [tert-butyl(dimethyl)silyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
SYSTEMATIC NAME: [tert-butyl(dimethyl)silyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
MOLECULAR FORMULA: C20H33Cl2NO2Si
MOLECULAR WEIGHT: 418.47302
SMILES: CC(C)(C)[Si](C)(C)OC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl
Structure:
CAS RN: 65653-64-7
CAS Name: 1,1,1,3,3,3-hexafluoro-2-(2-iodo-5-methylphenyl)-2-propanol
OPENEYE Name: 1,1,1,3,3,3-hexafluoro-2-(2-iodo-5-methyl-phenyl)propan-2-ol
IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-(2-iodo-5-methylphenyl)propan-2-ol
SYSTEMATIC NAME: 1,1,1,3,3,3-hexakis(fluoranyl)-2-(2-iodanyl-5-methyl-phenyl)propan-2-ol
MOLECULAR FORMULA: C10H7F6IO
MOLECULAR WEIGHT: 384.056869
SMILES: CC1=CC(=C(C=C1)I)C(C(F)(F)F)(C(F)(F)F)O
Structure:
CAS RN: 69429-70-5
CAS Name: 1-hydroxy-3,3-dimethyl-1$l^{3},2-benziodoxole
OPENEYE Name: 1-hydroxy-3,3-dimethyl-1$l^{3},2-benziodoxole
IUPAC Name: 1-hydroxy-3,3-dimethyl-1$l^{3},2-benziodoxole
SYSTEMATIC NAME: 3,3-dimethyl-1-oxidanyl-1$l^{3},2-benziodoxole
MOLECULAR FORMULA: C9H11IO2
MOLECULAR WEIGHT: 278.08691
SMILES: CC1(C2=CC=CC=C2I(O1)O)C
Structure:
CAS RN: 76220-89-8
CAS Name: 8-bromo-2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazine
OPENEYE Name: 8-bromo-2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazine
IUPAC Name: 8-bromo-2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazine
SYSTEMATIC NAME: 8-bromanyl-2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazine
MOLECULAR FORMULA: C13H12BrF6NO
MOLECULAR WEIGHT: 392.134899
SMILES: CC1=CC(=C2C(=C1)C(OC(N2)(C)C)(C(F)(F)F)C(F)(F)F)Br
Structure:
CAS RN: 80360-40-3
CAS Name: 2-(2-amino-3-bromo-5-methylphenyl)-1,1,1,3,3,3-hexafluoro-2-propanol
OPENEYE Name: 2-(2-amino-3-bromo-5-methyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
IUPAC Name: 2-(2-amino-3-bromo-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SYSTEMATIC NAME: 2-(2-azanyl-3-bromanyl-5-methyl-phenyl)-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-ol
MOLECULAR FORMULA: C10H8BrF6NO
MOLECULAR WEIGHT: 352.071039
SMILES: CC1=CC(=C(C(=C1)Br)N)C(C(F)(F)F)(C(F)(F)F)O
Structure:
CAS RN: 64407-86-9
CAS Name: 5-tert-butyl-2-mercaptobenzene-1,3-dicarboxylic acid
OPENEYE Name: 5-tert-butyl-2-sulfanyl-benzene-1,3-dicarboxylic acid
IUPAC Name: 5-tert-butyl-2-sulfanylbenzene-1,3-dicarboxylic acid
SYSTEMATIC NAME: 5-tert-butyl-2-sulfanyl-benzene-1,3-dicarboxylic acid
MOLECULAR FORMULA: C12H14O4S
MOLECULAR WEIGHT: 254.30216
SMILES: CC(C)(C)C1=CC(=C(C(=C1)C(=O)O)S)C(=O)O
Structure:
CAS RN: 69105-26-6
CAS Name: 5-tert-butyl-3-oxo-2,1-benzoxathiole-7-carboxylic acid
OPENEYE Name: 5-tert-butyl-3-oxo-2,1-benzoxathiole-7-carboxylic acid
IUPAC Name: 5-tert-butyl-3-oxo-2,1-benzoxathiole-7-carboxylic acid
SYSTEMATIC NAME: 5-tert-butyl-3-oxidanylidene-2,1-benzoxathiole-7-carboxylic acid
MOLECULAR FORMULA: C12H12O4S
MOLECULAR WEIGHT: 252.28628
SMILES: CC(C)(C)C1=CC(=C2C(=C1)C(=O)OS2)C(=O)O
Structure:
CAS RN: 69105-31-3
CAS Name: 2-(5-tert-butyl-3,3-dimethyl-1,1-dioxo-2,1$l^{6}-benzoxathiol-7-yl)-2-propanol
OPENEYE Name: 2-(5-tert-butyl-3,3-dimethyl-1,1-dioxo-2,1$l^{6}-benzoxathiol-7-yl)propan-2-ol
IUPAC Name: 2-(5-tert-butyl-3,3-dimethyl-1,1-dioxo-2,1$l^{6}-benzoxathiol-7-yl)propan-2-ol
SYSTEMATIC NAME: 2-[5-tert-butyl-3,3-dimethyl-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-7-yl]propan-2-ol
MOLECULAR FORMULA: C16H24O4S
MOLECULAR WEIGHT: 312.42436
SMILES: CC1(C2=CC(=CC(=C2S(=O)(=O)O1)C(C)(C)O)C(C)(C)C)C
Structure:
CAS RN: 64407-85-8
CAS Name: 2-[5-tert-butyl-3-(2-hydroxypropan-2-yl)-2-(methylthio)phenyl]-2-propanol
OPENEYE Name: 2-[5-tert-butyl-3-(1-hydroxy-1-methyl-ethyl)-2-methylsulfanyl-phenyl]propan-2-ol
IUPAC Name: 2-[5-tert-butyl-3-(2-hydroxypropan-2-yl)-2-methylsulfanylphenyl]propan-2-ol
SYSTEMATIC NAME: 2-[5-tert-butyl-2-methylsulfanyl-3-(2-oxidanylpropan-2-yl)phenyl]propan-2-ol
MOLECULAR FORMULA: C17H28O2S
MOLECULAR WEIGHT: 296.46802
SMILES: CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)O)SC)C(C)(C)O
Structure:
CAS RN: 69105-24-4
CAS Name: 5-tert-butyl-7-(2-methoxypropan-2-yl)-3,3-dimethyl-2,1-benzoxathiole
OPENEYE Name: 5-tert-butyl-7-(1-methoxy-1-methyl-ethyl)-3,3-dimethyl-2,1-benzoxathiole
IUPAC Name: 5-tert-butyl-7-(2-methoxypropan-2-yl)-3,3-dimethyl-2,1-benzoxathiole
SYSTEMATIC NAME: 5-tert-butyl-7-(2-methoxypropan-2-yl)-3,3-dimethyl-2,1-benzoxathiole
MOLECULAR FORMULA: C17H26O2S
MOLECULAR WEIGHT: 294.45214
SMILES: CC1(C2=CC(=CC(=C2SO1)C(C)(C)OC)C(C)(C)C)C
Structure:
CAS RN: 71401-78-0
CAS Name: 1-hydroxy-3,3-dimethyl-2,1$l^{5}-benzoxaphosphole 1-oxide
OPENEYE Name: 1-hydroxy-3,3-dimethyl-2,1$l^{5}-benzoxaphosphole 1-oxide
IUPAC Name: 1-hydroxy-3,3-dimethyl-2,1$l^{5}-benzoxaphosphole 1-oxide
SYSTEMATIC NAME: 3,3-dimethyl-1-oxidanyl-2,1$l^{5}-benzoxaphosphole 1-oxide
MOLECULAR FORMULA: C9H11O3P
MOLECULAR WEIGHT: 198.155601
SMILES: CC1(C2=CC=CC=C2P(=O)(O1)O)C
Structure:
CAS RN: 81073-05-4
CAS Name: diphenyl-[2-(2-phenylmethoxypropan-2-yl)phenyl]phosphine
OPENEYE Name: [2-(1-benzyloxy-1-methyl-ethyl)phenyl]-diphenyl-phosphane
IUPAC Name: diphenyl-[2-(2-phenylmethoxypropan-2-yl)phenyl]phosphane
SYSTEMATIC NAME: diphenyl-[2-(2-phenylmethoxypropan-2-yl)phenyl]phosphane
MOLECULAR FORMULA: C28H27OP
MOLECULAR WEIGHT: 410.487141
SMILES: CC(C)(C1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3)OCC4=CC=CC=C4
Structure:
CAS RN: 67759-42-6
CAS Name: 1-hydroxy-3,3,3',3'-tetramethyl-1,1'-spirobi[2,1$l^{5}-benzoxaphosphole]
OPENEYE Name: 1-hydroxy-3,3,3',3'-tetramethyl-1,1'-spirobi[2,1$l^{5}-benzoxaphosphole]
IUPAC Name: 1-hydroxy-3,3,3',3'-tetramethyl-1,1'-spirobi[2,1$l^{5}-benzoxaphosphole]
SYSTEMATIC NAME: 3,3,3',3'-tetramethyl-1-oxidanyl-1,1'-spirobi[2,1$l^{5}-benzoxaphosphole]
MOLECULAR FORMULA: C18H21O3P
MOLECULAR WEIGHT: 316.331301
SMILES: CC1(C2=CC=CC=C2P3(O1)(C4=CC=CC=C4C(O3)(C)C)O)C
Structure:
CAS RN: 22433-91-6
CAS Name: 2-bromobenzene-1,3-dicarboxylic acid
OPENEYE Name: 2-bromobenzene-1,3-dicarboxylic acid
IUPAC Name: 2-bromobenzene-1,3-dicarboxylic acid
SYSTEMATIC NAME: 2-bromanylbenzene-1,3-dicarboxylic acid
MOLECULAR FORMULA: C8H5BrO4
MOLECULAR WEIGHT: 245.0269
SMILES: C1=CC(=C(C(=C1)C(=O)O)Br)C(=O)O
Structure:
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