CAS RN: 70028-75-0
CAS Name: 2-[(2-amino-1-oxo-3-sulfidopropyl)amino]acetate; carbanide; hydron; mercury(2+)
OPENEYE Name: mercuric; 2-[(2-amino-3-sulfido-propanoyl)amino]acetate; carbanide; hydron
IUPAC Name: 2-[(2-amino-3-sulfidopropanoyl)amino]acetate; carbanide; hydron; mercury(2+)
SYSTEMATIC NAME: 2-[(2-azanyl-3-sulfanidyl-propanoyl)amino]ethanoate; carbanide; hydron; mercury(2+)
MOLECULAR FORMULA: C6H12HgN2O3S
MOLECULAR WEIGHT: 392.82608
SMILES: [H+].[CH3-].C(C(C(=O)NCC(=O)[O-])N)[S-].[Hg+2]
Structure:
CAS RN: 70023-02-8
CAS Name: (3S)-4-[[(2S)-1-[[(2S)-1-[[1-[[(2S)-6-amino-1-(2-naphthalenylamino)-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-[(2-amino-1-oxoethyl)amino]-4-oxobutanoic acid
OPENEYE Name: (3S)-3-[(2-aminoacetyl)amino]-4-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-5-amino-1-(2-naphthylcarbamoyl)pentyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid
IUPAC Name: (3S)-3-[(2-aminoacetyl)amino]-4-[[(2S)-1-[[(2S)-1-[[1-[[(2S)-6-amino-1-(naphthalen-2-ylamino)-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (3S)-3-(2-azanylethanoylamino)-4-[[(2S)-1-[[(2S)-1-[[1-[[(2S)-6-azanyl-1-(naphthalen-2-ylamino)-1-oxidanylidene-hexan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-oxidanyl-1,4-bis(oxid
MOLECULAR FORMULA: C34H44N8O14
MOLECULAR WEIGHT: 788.75836
SMILES: C1=CC=C2C=C(C=CC2=C1)NC(=O)[C@H](CCCCN)NC(=O)C(CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CN
Structure:
CAS RN: 70013-89-7
CAS Name: 1-phenyl-3-(1-pyridin-1-iumyl)-1-propanone chloride
OPENEYE Name: 1-phenyl-3-pyridin-1-ium-1-yl-propan-1-one chloride
IUPAC Name: 1-phenyl-3-pyridin-1-ium-1-ylpropan-1-one chloride
SYSTEMATIC NAME: 1-phenyl-3-pyridin-1-ium-1-yl-propan-1-one chloride
MOLECULAR FORMULA: C14H14ClNO
MOLECULAR WEIGHT: 247.72006
SMILES: C1=CC=C(C=C1)C(=O)CC[N+]2=CC=CC=C2.[Cl-]
Structure:
CAS RN: 69997-72-4
CAS Name: 3-[18-(2-carboxylatoethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-2-porphyrin-21,24-diidyl]propanoate; hydron; manganese(3+)
OPENEYE Name: manganic; 3-[18-(2-carboxylatoethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoate; hydron
IUPAC Name: 3-[18-(2-carboxylatoethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate; hydron; manganese(3+)
SYSTEMATIC NAME: 3-[8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-18-(3-oxidanidyl-3-oxidanylidene-propyl)porphyrin-21,24-diid-2-yl]propanoate; hydron; manganese(3+)
MOLECULAR FORMULA: C34H35MnN4O6
MOLECULAR WEIGHT: 650.602949
SMILES: [H+].CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C(C)O)C)C(C)O)C)CCC(=O)[O-])CCC(=O)[O-].[Mn+3]
Structure:
CAS RN: 69980-71-8
CAS Name: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-mercaptoacetic acid; nonylbenzene
OPENEYE Name: 2-(chloromethyl)oxirane; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; nonylbenzene; 2-sulfanylacetic acid
IUPAC Name: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; nonylbenzene; 2-sulfanylacetic acid
SYSTEMATIC NAME: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; nonylbenzene; 2-sulfanylethanoic acid
MOLECULAR FORMULA: C35H49ClO5S
MOLECULAR WEIGHT: 617.27856
SMILES: CCCCCCCCCC1=CC=CC=C1.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1C(O1)CCl.C(C(=O)O)S
Structure:
CAS RN: 69961-72-4
CAS Name: 3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione; 2,2-bis(bromomethyl)propane-1,3-diol; furan-2,5-dione; isobenzofuran-1,3-dione
OPENEYE Name: 3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione; 2,2-bis(bromomethyl)propane-1,3-diol; furan-2,5-dione; isobenzofuran-1,3-dione
IUPAC Name: 3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione; 2-benzofuran-1,3-dione; 2,2-bis(bromomethyl)propane-1,3-diol; furan-2,5-dione
SYSTEMATIC NAME: 3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione; 2-benzofuran-1,3-dione; 2,2-bis(bromomethyl)propane-1,3-diol; furan-2,5-dione
MOLECULAR FORMULA: C25H24Br2O11
MOLECULAR WEIGHT: 660.25946
SMILES: C1C=CCC2C1C(=O)OC2=O.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=O)OC1=O.C(C(CO)(CBr)CBr)O
Structure:
CAS RN: 69943-73-3
CAS Name: calcium; 1,4-bis(ethenyl)benzene; 4-ethenylbenzenesulfonate
OPENEYE Name: calcium; 1,4-divinylbenzene; 4-vinylbenzenesulfonate
IUPAC Name: calcium; 1,4-bis(ethenyl)benzene; 4-ethenylbenzenesulfonate
SYSTEMATIC NAME: calcium; 1,4-bis(ethenyl)benzene; 4-ethenylbenzenesulfonate
MOLECULAR FORMULA: C26H24CaO6S2
MOLECULAR WEIGHT: 536.67316
SMILES: C=CC1=CC=C(C=C1)C=C.C=CC1=CC=C(C=C1)S(=O)(=O)[O-].C=CC1=CC=C(C=C1)S(=O)(=O)[O-].[Ca+2]
Structure:
CAS RN: 69943-64-2
CAS Name: sodium; chromium(3+); 8-(methoxycarbonylamino)-1-(2-oxido-5-sulfamoylphenyl)azo-2-naphthalenolate
OPENEYE Name: chromic sodium 8-(methoxycarbonylamino)-1-(2-oxido-5-sulfamoyl-phenyl)azo-naphthalen-2-olate
IUPAC Name: sodium; chromium(3+); 8-(methoxycarbonylamino)-1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate
SYSTEMATIC NAME: sodium; chromium(3+); 8-(methoxycarbonylamino)-1-[(2-oxidanidyl-5-sulfamoyl-phenyl)diazenyl]naphthalen-2-olate
MOLECULAR FORMULA: C36H28CrN8NaO12S2
MOLECULAR WEIGHT: 903.76979
SMILES: COC(=O)NC1=CC=CC2=C1C(=C(C=C2)[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)N)[O-].COC(=O)NC1=CC=CC2=C1C(=C(C=C2)[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)N)[O-].[Na+].[Cr+3]
Structure:
CAS RN: 69937-02-6
CAS Name: 3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-8b-[3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
OPENEYE Name: 3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-8b-[3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
IUPAC Name: 3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-8b-[3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
SYSTEMATIC NAME: 3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-8b-[3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
MOLECULAR FORMULA: C44H50N8
MOLECULAR WEIGHT: 690.9214
SMILES: CN1CCC2(C1NC3=CC=CC=C32)C4=C5C(=CC=C4)C6(CCN(C6N5)C)C78CCN(C7NC9=C(C=CC=C89)C12CCN(C1NC1=CC=CC=C21)C)C
Structure:
CAS RN: 112295-93-9
CAS Name: 3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-8b-[3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
OPENEYE Name: 3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-8b-[3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
IUPAC Name: 3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-8b-[3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
SYSTEMATIC NAME: 3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-8b-[3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
MOLECULAR FORMULA: C44H50N8
MOLECULAR WEIGHT: 690.9214
SMILES: CN1CCC2(C1NC3=CC=CC=C32)C4=C5C(=CC=C4)C6(CCN(C6N5)C)C78CCN(C7NC9=C(C=CC=C89)C12CCN(C1NC1=CC=CC=C21)C)C
Structure:
CAS RN: 69929-45-9
CAS Name: 3-(aminomethyl)-3,5,5-trimethyl-1-cyclohexanamine; hexanedioic acid; octadecanoic acid
OPENEYE Name: adipic acid; 3-(aminomethyl)-3,5,5-trimethyl-cyclohexanamine; stearic acid
IUPAC Name: 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine; hexanedioic acid; octadecanoic acid
SYSTEMATIC NAME: 3-(aminomethyl)-3,5,5-trimethyl-cyclohexan-1-amine; hexanedioic acid; octadecanoic acid
MOLECULAR FORMULA: C34H68N2O6
MOLECULAR WEIGHT: 600.91352
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.CC1(CC(CC(C1)(C)CN)N)C.C(CCC(=O)O)CC(=O)O
Structure:
CAS RN: 69898-35-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H18N6O2
MOLECULAR WEIGHT: 230.26752
SMILES: C=O.C1N2CN3CN1CN(C2)C3.C(=O)(N)N
Structure:
CAS RN: 69898-36-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H18N6O2
MOLECULAR WEIGHT: 230.26752
SMILES: C=O.C1N2CN3CN1CN(C2)C3.C(=O)(N)N
Structure:
CAS RN: 69898-19-7
CAS Name: dialuminum; oxygen(2-); silver
OPENEYE Name: dialuminum; oxygen(2-); silver
IUPAC Name: dialuminum; oxygen(2-); silver
SYSTEMATIC NAME: dialuminum; oxygen(2-); silver
MOLECULAR FORMULA: AgAl2O3
MOLECULAR WEIGHT: 209.829476
SMILES: [O-2].[O-2].[O-2].[Al+3].[Al+3].[Ag]
Structure:
CAS RN: 69880-77-9
CAS Name: disodium 3-decyl-4-(2-decyl-4-sulfonatophenoxy)benzenesulfonate
OPENEYE Name: disodium 3-decyl-4-(2-decyl-4-sulfonato-phenoxy)benzenesulfonate
IUPAC Name: disodium 3-decyl-4-(2-decyl-4-sulfonatophenoxy)benzenesulfonate
SYSTEMATIC NAME: disodium 3-decyl-4-(2-decyl-4-sulfonato-phenoxy)benzenesulfonate
MOLECULAR FORMULA: C32H48Na2O7S2
MOLECULAR WEIGHT: 654.82886
SMILES: CCCCCCCCCCC1=C(C=CC(=C1)S(=O)(=O)[O-])OC2=C(C=C(C=C2)S(=O)(=O)[O-])CCCCCCCCCC.[Na+].[Na+]
Structure:
CAS RN: 69847-64-9
CAS Name: ammonium; 2-methylenehexanoic acid; 2-methyl-2-propenoate; styrene
OPENEYE Name: ammonium; 2-methylenehexanoic acid; 2-methylprop-2-enoate; styrene
IUPAC Name: azanium; 2-methylidenehexanoic acid; 2-methylprop-2-enoate; styrene
SYSTEMATIC NAME: azanium; ethenylbenzene; 2-methylidenehexanoic acid; 2-methylprop-2-enoate
MOLECULAR FORMULA: C19H29NO4
MOLECULAR WEIGHT: 335.43786
SMILES: CCCCC(=C)C(=O)O.CC(=C)C(=O)[O-].C=CC1=CC=CC=C1.[NH4+]
Structure:
CAS RN: 69847-42-3
CAS Name: benzene-1,3-dicarboxylic acid; cyclohexane-1,4-dicarboxylic acid dimethyl ester; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol
OPENEYE Name: dimethyl cyclohexane-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; isophthalic acid
IUPAC Name: benzene-1,3-dicarboxylic acid; dimethyl cyclohexane-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol
SYSTEMATIC NAME: benzene-1,3-dicarboxylic acid; dimethyl cyclohexane-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol
MOLECULAR FORMULA: C29H48O13
MOLECULAR WEIGHT: 604.68362
SMILES: CCC(CO)(CO)CO.CC(C)(CO)CO.COC(=O)C1CCC(CC1)C(=O)OC.C1=CC(=CC(=C1)C(=O)O)C(=O)O
Structure:
CAS RN: 69847-39-8
CAS Name: N,N-diethylaniline; phthalic acid
OPENEYE Name: N,N-diethylaniline; phthalic acid
IUPAC Name: N,N-diethylaniline; phthalic acid
SYSTEMATIC NAME: N,N-diethylaniline; phthalic acid
MOLECULAR FORMULA: C18H21NO4
MOLECULAR WEIGHT: 315.36364
SMILES: CCN(CC)C1=CC=CC=C1.C1=CC=C(C(=C1)C(=O)O)C(=O)O
Structure:
CAS RN: 69835-39-8
CAS Name: 8-[3-(diethylamino)propyl]-6,6-dimethyl-2-phenyl-3H-imidazo[4,5-h]isoquinoline-7,9-dione dihydrochloride
OPENEYE Name: 8-[3-(diethylamino)propyl]-6,6-dimethyl-2-phenyl-3H-imidazo[4,5-h]isoquinoline-7,9-dione dihydrochloride
IUPAC Name: 8-[3-(diethylamino)propyl]-6,6-dimethyl-2-phenyl-3H-imidazo[4,5-h]isoquinoline-7,9-dione dihydrochloride
SYSTEMATIC NAME: 8-[3-(diethylamino)propyl]-6,6-dimethyl-2-phenyl-3H-imidazo[4,5-h]isoquinoline-7,9-dione dihydrochloride
MOLECULAR FORMULA: C25H32Cl2N4O2
MOLECULAR WEIGHT: 491.45318
SMILES: CCN(CC)CCCN1C(=O)C2=C(C=CC3=C2N=C(N3)C4=CC=CC=C4)C(C1=O)(C)C.Cl.Cl
Structure:
CAS RN: 69834-23-7
CAS Name: diammonium 2-dodecyl-4-(4-sulfonatophenoxy)benzenesulfonate
OPENEYE Name: diammonium 2-dodecyl-4-(4-sulfonatophenoxy)benzenesulfonate
IUPAC Name: diazanium 2-dodecyl-4-(4-sulfonatophenoxy)benzenesulfonate
SYSTEMATIC NAME: diazanium 2-dodecyl-4-(4-sulfonatophenoxy)benzenesulfonate
MOLECULAR FORMULA: C24H40N2O7S2
MOLECULAR WEIGHT: 532.7136
SMILES: CCCCCCCCCCCCC1=C(C=CC(=C1)OC2=CC=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[NH4+].[NH4+]
Structure:
CAS RN: 69834-14-6
CAS Name: 2-(dimethylamino)ethanol; 2-methyl-2-propenoic acid butyl ester; 2-methyl-2-propenoic acid methyl ester; 2-propenoic acid; 2-propenoic acid butyl ester; 2-propenoic acid 2-hydroxyethyl ester; styrene
OPENEYE Name: acrylic acid; butyl 2-methylprop-2-enoate; butyl prop-2-enoate; 2-(dimethylamino)ethanol; 2-hydroxyethyl prop-2-enoate; methyl 2-methylprop-2-enoate; styrene
IUPAC Name: butyl 2-methylprop-2-enoate; butyl prop-2-enoate; 2-(dimethylamino)ethanol; 2-hydroxyethyl prop-2-enoate; methyl 2-methylprop-2-enoate; prop-2-enoic acid; styrene
SYSTEMATIC NAME: butyl 2-methylprop-2-enoate; butyl prop-2-enoate; 2-(dimethylamino)ethanol; ethenylbenzene; 2-hydroxyethyl prop-2-enoate; methyl 2-methylprop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C40H65NO12
MOLECULAR WEIGHT: 751.9436
SMILES: CCCCOC(=O)C=C.CCCCOC(=O)C(=C)C.CC(=C)C(=O)OC.CN(C)CCO.C=CC1=CC=CC=C1.C=CC(=O)O.C=CC(=O)OCCO
Structure:
CAS RN: 69834-09-9
CAS Name: 4-(1,2,2,6-tetramethylcyclohexyl)-2-butanol
OPENEYE Name: 4-(1,2,2,6-tetramethylcyclohexyl)butan-2-ol
IUPAC Name: 4-(1,2,2,6-tetramethylcyclohexyl)butan-2-ol
SYSTEMATIC NAME: 4-(1,2,2,6-tetramethylcyclohexyl)butan-2-ol
MOLECULAR FORMULA: C14H28O
MOLECULAR WEIGHT: 212.37152
SMILES: CC1CCCC(C1(C)CCC(C)O)(C)C
Structure:
CAS RN: 69798-32-9
CAS Name: N-carbamoylcyclobutanecarboxamide
OPENEYE Name: N-carbamoylcyclobutanecarboxamide
IUPAC Name: N-carbamoylcyclobutanecarboxamide
SYSTEMATIC NAME: N-aminocarbonylcyclobutanecarboxamide
MOLECULAR FORMULA: C6H10N2O2
MOLECULAR WEIGHT: 142.1558
SMILES: C1CC(C1)C(=O)NC(=O)N
Structure:
CAS RN: 69783-19-3
CAS Name: (2S,3S,4S,5R,6S)-6-(N-acetyl-4-ethoxyanilino)oxy-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6S)-6-(N-acetyl-4-ethoxy-anilino)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6S)-6-(N-acetyl-4-ethoxyanilino)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6S)-6-[ethanoyl-(4-ethoxyphenyl)amino]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C16H21NO9
MOLECULAR WEIGHT: 371.33924
SMILES: CCOC1=CC=C(C=C1)N(C(=O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
Structure:
CAS RN: 69768-54-3
CAS Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-fluorophenoxy)-3,6-dihydro-2H-pyridine; (2R,3R)-2,3-dihydroxybutanedioic acid
OPENEYE Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-fluorophenoxy)-3,6-dihydro-2H-pyridine; (2R,3R)-2,3-dihydroxybutanedioic acid
IUPAC Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-fluorophenoxy)-3,6-dihydro-2H-pyridine; (2R,3R)-2,3-dihydroxybutanedioic acid
SYSTEMATIC NAME: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-fluoranylphenoxy)-3,6-dihydro-2H-pyridine; (2R,3R)-2,3-bis(oxidanyl)butanedioic acid
MOLECULAR FORMULA: C31H32F3NO7
MOLECULAR WEIGHT: 587.58349
SMILES: C1CN(CC=C1OC2=CC=C(C=C2)F)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 69725-60-6
CAS Name: 3-(aminomethyl)-3,5,5-trimethyl-1-cyclohexanamine; 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; hexanedioic acid; hexane-1,6-diol; isobenzofuran-1,3-dione; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
OPENEYE Name: adipic acid; 3-(aminomethyl)-3,5,5-trimethyl-cyclohexanamine; 2,2-dimethylpropane-1,3-diol; ethylene glycol; hexane-1,6-diol; isobenzofuran-1,3-dione; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane
IUPAC Name: 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine; 2-benzofuran-1,3-dione; 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; hexanedioic acid; hexane-1,6-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
SYSTEMATIC NAME: 3-(aminomethyl)-3,5,5-trimethyl-cyclohexan-1-amine; 2-benzofuran-1,3-dione; 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; hexanedioic acid; hexane-1,6-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane
MOLECULAR FORMULA: C49H86N4O15
MOLECULAR WEIGHT: 971.22494
SMILES: CC1(CC(CC(C1)(C)CN)N)C.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.CC(C)(CO)CO.C1=CC=C2C(=C1)C(=O)OC2=O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O.C(CO)O
Structure:
CAS RN: 69669-42-7
CAS Name: decanoic acid; hexadecane; octadecane; octanoic acid
OPENEYE Name: decanoic acid; hexadecane; octadecane; octanoic acid
IUPAC Name: decanoic acid; hexadecane; octadecane; octanoic acid
SYSTEMATIC NAME: decanoic acid; hexadecane; octadecane; octanoic acid
MOLECULAR FORMULA: C52H106O4
MOLECULAR WEIGHT: 795.39564
SMILES: CCCCCCCCCCCCCCC[CH2].CCCCCCCCCCCCCCCCC[CH2].CCCCCCCCCC(=O)O.CCCCCCCC(=O)O
Structure:
CAS RN: 69637-93-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H10N6
MOLECULAR WEIGHT: 286.2908
SMILES: C1=CC=C2C(=C1)NC3=NC4=NC5=CC=CC=C5N=C4N=C3N2
Structure:
CAS RN: 69631-31-8
CAS Name: 1,2-bis(ethenyl)benzene; 2-methyl-2-propenoic acid 2-hydroxyethyl ester; 2-methyl-2-propenoic acid methyl ester
OPENEYE Name: 1,2-divinylbenzene; 2-hydroxyethyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate
IUPAC Name: 1,2-bis(ethenyl)benzene; 2-hydroxyethyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 1,2-bis(ethenyl)benzene; 2-hydroxyethyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C21H28O5
MOLECULAR WEIGHT: 360.44402
SMILES: CC(=C)C(=O)OC.CC(=C)C(=O)OCCO.C=CC1=CC=CC=C1C=C
Structure:
CAS RN: 69489-90-3
CAS Name: N-diazo-1-pyrenesulfonamide
OPENEYE Name: N-diazopyrene-1-sulfonamide
IUPAC Name: N-diazopyrene-1-sulfonamide
SYSTEMATIC NAME: N-diazopyrene-1-sulfonamide
MOLECULAR FORMULA: C16H9N3O2S
MOLECULAR WEIGHT: 307.32656
SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)N=[N+]=[N-]
Structure:
CAS RN: 69458-19-1
CAS Name: trimethyl-[4-[10,15,20-tris[4-(trimethylammonio)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]ammonium
OPENEYE Name: trimethyl-[4-[10,15,20-tris[4-(trimethylammonio)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]ammonium
IUPAC Name: trimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]azanium
SYSTEMATIC NAME: trimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]azanium
MOLECULAR FORMULA: C56H62N8+4
MOLECULAR WEIGHT: 847.14508
SMILES: C[N+](C)(C)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)[N+](C)(C)C)C8=CC=C(C=C8)[N+](C)(C)C)C9=CC=C(C=C9)[N+](C)(C)C)N3
Structure:
CAS RN: 69421-39-2
CAS Name: 2-hydroxy-2-[2-hydroxy-6-[[3-[5-[5-(6-hydroxy-3,5,6-trimethyl-2-oxanyl)-2-oxolanyl]-3-[(5-methoxy-6-methyl-2-oxanyl)oxy]-2-oxolanyl]-7-methoxy-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-4-methoxy-3,5-dimethyl-2-oxanyl]acetic acid
OPENEYE Name: 2-hydroxy-2-[2-hydroxy-6-[[3-[5-[5-(6-hydroxy-3,5,6-trimethyl-tetrahydropyran-2-yl)tetrahydrofuran-2-yl]-3-(5-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydrofuran-2-yl]-7-methoxy-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-4-methoxy-3,5-di
IUPAC Name: 2-hydroxy-2-[2-hydroxy-6-[[3-[5-[5-(6-hydroxy-3,5,6-trimethyloxan-2-yl)oxolan-2-yl]-3-(5-methoxy-6-methyloxan-2-yl)oxyoxolan-2-yl]-7-methoxy-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-4-methoxy-3,5-dimethyloxan-2-yl]acetic acid
SYSTEMATIC NAME: 2-[4-methoxy-6-[[7-methoxy-3-[3-(5-methoxy-6-methyl-oxan-2-yl)oxy-5-[5-(3,5,6-trimethyl-6-oxidanyl-oxan-2-yl)oxolan-2-yl]oxolan-2-yl]-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-3,5-dimethyl-2-oxidanyl-oxan-2-yl]-2-oxidanyl-ethanoic acid
MOLECULAR FORMULA: C46H78O16
MOLECULAR WEIGHT: 887.10192
SMILES: CC1CC(C(OC1C2CCC(O2)C3CC(C(O3)C4(CC(C5(O4)C(C(CC(O5)CC6C(C(C(C(O6)(C(C(=O)O)O)O)C)OC)C)OC)C)C)C)OC7CCC(C(O7)C)OC)(C)O)C
Structure:
CAS RN: 69355-89-1
CAS Name: (2S)-N-[(2S)-6-amino-1-[(2S)-2-carbamoyl-1-pyrrolidinyl]-1-oxohexan-2-yl]-1-[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinecarboxamide
OPENEYE Name: (2S)-N-[(1S)-5-amino-1-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]pentyl]-1-[(2S)-2-amino-5-guanidino-pentanoyl]pyrrolidine-2-carboxamide
IUPAC Name: (2S)-N-[(2S)-6-amino-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxohexan-2-yl]-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-6-azanyl-1-oxidanylidene-hexan-2-yl]-1-[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C22H41N9O4
MOLECULAR WEIGHT: 495.61884
SMILES: C1C[C@H](N(C1)C(=O)[C@H](CCCN=C(N)N)N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N
Structure:
CAS RN: 69331-29-9
CAS Name: 1,3-diisocyanato-2-methylbenzene; hexanedioic acid; 2-methyloxirane; oxirane
OPENEYE Name: adipic acid; 1,3-diisocyanato-2-methyl-benzene; 2-methyloxirane; oxirane
IUPAC Name: 1,3-diisocyanato-2-methylbenzene; hexanedioic acid; 2-methyloxirane; oxirane
SYSTEMATIC NAME: 1,3-diisocyanato-2-methyl-benzene; hexanedioic acid; 2-methyloxirane; oxirane
MOLECULAR FORMULA: C20H26N2O8
MOLECULAR WEIGHT: 422.42904
SMILES: CC1CO1.CC1=C(C=CC=C1N=C=O)N=C=O.C1CO1.C(CCC(=O)O)CC(=O)O
Structure:
CAS RN: 69304-37-6
CAS Name: chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane
OPENEYE Name: chloro-[chloro(diisopropyl)silyl]oxy-diisopropyl-silane
IUPAC Name: chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane
SYSTEMATIC NAME: chloranyl-[chloranyl-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane
MOLECULAR FORMULA: C12H28Cl2OSi2
MOLECULAR WEIGHT: 315.42712
SMILES: CC(C)[Si](C(C)C)(O[Si](C(C)C)(C(C)C)Cl)Cl
Structure:
CAS RN: 69227-18-5
CAS Name: cyclohexanone; 2-methyl-1-cyclohexanone
OPENEYE Name: cyclohexanone; 2-methylcyclohexanone
IUPAC Name: cyclohexanone; 2-methylcyclohexan-1-one
SYSTEMATIC NAME: cyclohexanone; 2-methylcyclohexan-1-one
MOLECULAR FORMULA: C13H22O2
MOLECULAR WEIGHT: 210.31258
SMILES: CC1CCCCC1=O.C1CCC(=O)CC1
Structure:
CAS RN: 69203-91-4
CAS Name: 2-amino-7H-purine-6-thiolate; platinum(2+)
OPENEYE Name: 2-amino-7H-purine-6-thiolate; platinum(2+)
IUPAC Name: 2-amino-7H-purine-6-thiolate; platinum(2+)
SYSTEMATIC NAME: 2-azanyl-7H-purine-6-thiolate; platinum(2+)
MOLECULAR FORMULA: C10H8N10PtS2
MOLECULAR WEIGHT: 527.44552
SMILES: C1=NC2=C(N1)C(=NC(=N2)N)[S-].C1=NC2=C(N1)C(=NC(=N2)N)[S-].[Pt+2]
Structure:
CAS RN: 69198-43-2
CAS Name: cobalt(2+); tris(3,5-dimethylphenyl)phosphine; dibromide
OPENEYE Name: cobaltous tris(3,5-dimethylphenyl)phosphane dibromide
IUPAC Name: cobalt(2+); tris(3,5-dimethylphenyl)phosphane; dibromide
SYSTEMATIC NAME: cobalt(2+); tris(3,5-dimethylphenyl)phosphane; dibromide
MOLECULAR FORMULA: C48H54Br2CoP2
MOLECULAR WEIGHT: 911.631082
SMILES: CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C3=CC(=CC(=C3)C)C)C.CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C3=CC(=CC(=C3)C)C)C.[Co+2].[Br-].[Br-]
Structure:
CAS RN: 69476-87-5
CAS Name: cobalt(2+); tris(3,5-dimethylphenyl)phosphine; dibromide
OPENEYE Name: cobaltous tris(3,5-dimethylphenyl)phosphane dibromide
IUPAC Name: cobalt(2+); tris(3,5-dimethylphenyl)phosphane; dibromide
SYSTEMATIC NAME: cobalt(2+); tris(3,5-dimethylphenyl)phosphane; dibromide
MOLECULAR FORMULA: C48H54Br2CoP2
MOLECULAR WEIGHT: 911.631082
SMILES: CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C3=CC(=CC(=C3)C)C)C.CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C3=CC(=CC(=C3)C)C)C.[Co+2].[Br-].[Br-]
Structure:
CAS RN: 69178-40-1
CAS Name: aniline; 2-ethylaniline; formaldehyde
OPENEYE Name: aniline; 2-ethylaniline; formaldehyde
IUPAC Name: aniline; 2-ethylaniline; formaldehyde
SYSTEMATIC NAME: aniline; 2-ethylaniline; methanal
MOLECULAR FORMULA: C15H20N2O
MOLECULAR WEIGHT: 244.3321
SMILES: CCC1=CC=CC=C1N.C=O.C1=CC=C(C=C1)N
Structure:
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