CAS RN: 24285-39-0
CAS Name: carbamimidic acid methyl ester; sulfuric acid
OPENEYE Name: 2-methylisourea; sulfuric acid
IUPAC Name: methyl carbamimidate; sulfuric acid
SYSTEMATIC NAME: methyl carbamimidate; sulfuric acid
MOLECULAR FORMULA: C2H8N2O5S
MOLECULAR WEIGHT: 172.16032
SMILES: COC(=N)N.OS(=O)(=O)O
Structure:
CAS RN: 29403-69-8
CAS Name: ethane-1,2-diol; furan-2,5-dione; 4,5,6,7-tetrachloroisobenzofuran-1,3-dione
OPENEYE Name: ethylene glycol; furan-2,5-dione; 4,5,6,7-tetrachloroisobenzofuran-1,3-dione
IUPAC Name: ethane-1,2-diol; furan-2,5-dione; 4,5,6,7-tetrachloro-2-benzofuran-1,3-dione
SYSTEMATIC NAME: ethane-1,2-diol; furan-2,5-dione; 4,5,6,7-tetrakis(chloranyl)-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C14H8Cl4O8
MOLECULAR WEIGHT: 446.02052
SMILES: C1=CC(=O)OC1=O.C(CO)O.C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)OC2=O
Structure:
CAS RN: 33024-61-2
CAS Name: acetic acid ethenyl ester; 1,1-bis(ethenoxy)butane; ethenol
OPENEYE Name: 1,1-divinyloxybutane; ethenol; vinyl acetate
IUPAC Name: 1,1-bis(ethenoxy)butane; ethenol; ethenyl acetate
SYSTEMATIC NAME: 1,1-bis(ethenoxy)butane; ethenol; ethenyl ethanoate
MOLECULAR FORMULA: C14H24O5
MOLECULAR WEIGHT: 272.33736
SMILES: CCCC(OC=C)OC=C.CC(=O)OC=C.C=CO
Structure:
CAS RN: 149-32-6
CAS Name: (2R,3R)-butane-1,2,3,4-tetrol
OPENEYE Name: (2R,3R)-butane-1,2,3,4-tetrol
IUPAC Name: (2R,3R)-butane-1,2,3,4-tetrol
SYSTEMATIC NAME: (2R,3R)-butane-1,2,3,4-tetrol
MOLECULAR FORMULA: C4H10O4
MOLECULAR WEIGHT: 122.1198
SMILES: C([C@H]([C@@H](CO)O)O)O
Structure:
CAS RN: 2418-52-2
CAS Name: (2R,3R)-butane-1,2,3,4-tetrol
OPENEYE Name: (2R,3R)-butane-1,2,3,4-tetrol
IUPAC Name: (2R,3R)-butane-1,2,3,4-tetrol
SYSTEMATIC NAME: (2R,3R)-butane-1,2,3,4-tetrol
MOLECULAR FORMULA: C4H10O4
MOLECULAR WEIGHT: 122.1198
SMILES: C([C@H]([C@@H](CO)O)O)O
Structure:
CAS RN: 7493-90-5
CAS Name: (2R,3R)-butane-1,2,3,4-tetrol
OPENEYE Name: (2R,3R)-butane-1,2,3,4-tetrol
IUPAC Name: (2R,3R)-butane-1,2,3,4-tetrol
SYSTEMATIC NAME: (2R,3R)-butane-1,2,3,4-tetrol
MOLECULAR FORMULA: C4H10O4
MOLECULAR WEIGHT: 122.1198
SMILES: C([C@H]([C@@H](CO)O)O)O
Structure:
CAS RN: 6882-66-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H20N2O
MOLECULAR WEIGHT: 244.3321
SMILES: C1C[C@H]2CN3C(=O)C=CC=C3[C@@H]4[C@H]2N(C1)CCC4
Structure:
CAS RN: 7362-52-9
CAS Name: (2R,3R)-2,3-dihydroxybutanedioate; 3-[(2S)-1-methyl-2-pyrrolidinyl]pyridine
OPENEYE Name: (2R,3R)-2,3-dihydroxybutanedioate; 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioate; 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
SYSTEMATIC NAME: (2R,3R)-2,3-bis(oxidanyl)butanedioate; 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
MOLECULAR FORMULA: C14H18N2O6-2
MOLECULAR WEIGHT: 310.30252
SMILES: CN1CCC[C@H]1C2=CN=CC=C2.[C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O
Structure:
CAS RN: 3845-12-3
CAS Name: (2R,3R)-2,3-dihydroxybutanedioate; 3-[(2S)-1-methyl-2-pyrrolidinyl]pyridine
OPENEYE Name: (2R,3R)-2,3-dihydroxybutanedioate; 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioate; 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
SYSTEMATIC NAME: (2R,3R)-2,3-bis(oxidanyl)butanedioate; 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
MOLECULAR FORMULA: C14H18N2O6-2
MOLECULAR WEIGHT: 310.30252
SMILES: CN1CCC[C@H]1C2=CN=CC=C2.[C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O
Structure:
CAS RN: 5700-67-4
CAS Name: (3S,7R,10S,14R)-7,14-diheptyl-3,10-bis(hydroxymethyl)-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone
OPENEYE Name: (3S,7R,10S,14R)-7,14-diheptyl-3,10-bis(hydroxymethyl)-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone
IUPAC Name: (3S,7R,10S,14R)-7,14-diheptyl-3,10-bis(hydroxymethyl)-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone
SYSTEMATIC NAME: (3S,7R,10S,14R)-7,14-diheptyl-3,10-bis(hydroxymethyl)-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone
MOLECULAR FORMULA: C26H46N2O8
MOLECULAR WEIGHT: 514.65204
SMILES: CCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)O[C@@H](CC(=O)N[C@H](C(=O)O1)CO)CCCCCCC)CO
Structure:
CAS RN: 5285-25-6
CAS Name: (3S,7R,10S,14R)-7,14-diheptyl-3,10-bis(hydroxymethyl)-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone
OPENEYE Name: (3S,7R,10S,14R)-7,14-diheptyl-3,10-bis(hydroxymethyl)-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone
IUPAC Name: (3S,7R,10S,14R)-7,14-diheptyl-3,10-bis(hydroxymethyl)-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone
SYSTEMATIC NAME: (3S,7R,10S,14R)-7,14-diheptyl-3,10-bis(hydroxymethyl)-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone
MOLECULAR FORMULA: C26H46N2O8
MOLECULAR WEIGHT: 514.65204
SMILES: CCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)O[C@@H](CC(=O)N[C@H](C(=O)O1)CO)CCCCCCC)CO
Structure:
CAS RN: 5189-11-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H27NO5S
MOLECULAR WEIGHT: 429.52918
SMILES: CN1CCC(=C2C3=C(CCC4=CC=CC=C42)SC=C3)CC1.C(C(C(=O)O)O)C(=O)O
Structure:
CAS RN: 5462-88-4
CAS Name: [(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl] hydrogen phosphate
OPENEYE Name: [(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] hydrogen phosphate
IUPAC Name: [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] hydrogen phosphate
MOLECULAR FORMULA: C19H26N5O11P
MOLECULAR WEIGHT: 531.410401
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=NC4=O)N)O
Structure:
CAS RN: 12257-99-7
CAS Name: nickel(2+); octanoate
OPENEYE Name: nickelous octanoate
IUPAC Name: nickel(2+); octanoate
SYSTEMATIC NAME: nickel(2+); octanoate
MOLECULAR FORMULA: C16H30NiO4
MOLECULAR WEIGHT: 345.1004
SMILES: CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Ni+2]
Structure:
CAS RN: 13716-94-4
CAS Name: nickel(2+); octanoate
OPENEYE Name: nickelous octanoate
IUPAC Name: nickel(2+); octanoate
SYSTEMATIC NAME: nickel(2+); octanoate
MOLECULAR FORMULA: C16H30NiO4
MOLECULAR WEIGHT: 345.1004
SMILES: CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Ni+2]
Structure:
CAS RN: 153305-02-3
CAS Name: nickel(2+); octanoate
OPENEYE Name: nickelous octanoate
IUPAC Name: nickel(2+); octanoate
SYSTEMATIC NAME: nickel(2+); octanoate
MOLECULAR FORMULA: C16H30NiO4
MOLECULAR WEIGHT: 345.1004
SMILES: CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Ni+2]
Structure:
CAS RN: 19807-00-2
CAS Name: nickel(2+); octanoate
OPENEYE Name: nickelous octanoate
IUPAC Name: nickel(2+); octanoate
SYSTEMATIC NAME: nickel(2+); octanoate
MOLECULAR FORMULA: C16H30NiO4
MOLECULAR WEIGHT: 345.1004
SMILES: CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Ni+2]
Structure:
CAS RN: 4697-68-1
CAS Name: (1S,4aS,5aR,6S,10aS)-1-methyl-2'-oxo-4-spiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]carboxylic acid methyl ester
OPENEYE Name: methyl (1S,4aS,5aR,6S,10aS)-1-methyl-2'-oxo-spiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-indoline]-4-carboxylate
IUPAC Name: methyl (1S,4aS,5aR,6S,10aS)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
SYSTEMATIC NAME: methyl (1S,4aS,5aR,6S,10aS)-1-methyl-2'-oxidanylidene-spiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
MOLECULAR FORMULA: C21H24N2O4
MOLECULAR WEIGHT: 368.42626
SMILES: C[C@H]1[C@@H]2CN3CC[C@@]4([C@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O
Structure:
CAS RN: 4373-34-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H25ClN2O3
MOLECULAR WEIGHT: 388.8878
SMILES: C[C@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45.Cl
Structure:
CAS RN: 4031-12-3
CAS Name: 1'-methyl-1-spiro[isobenzofuran-3,2'-pyrrolidine]one
OPENEYE Name: 1'-methylspiro[isobenzofuran-3,2'-pyrrolidine]-1-one
IUPAC Name: 1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-one
SYSTEMATIC NAME: 1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-one
MOLECULAR FORMULA: C12H13NO2
MOLECULAR WEIGHT: 203.23712
SMILES: CN1CCCC12C3=CC=CC=C3C(=O)O2
Structure:
CAS RN: 3805-37-6
CAS Name: [(2R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)-3-oxolanyl] dihydrogen phosphate
OPENEYE Name: [(2R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
IUPAC Name: [(2R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
SYSTEMATIC NAME: [(2R,5R)-2-(6-aminopurin-9-yl)-4-oxidanyl-5-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
MOLECULAR FORMULA: C10H15N5O10P2
MOLECULAR WEIGHT: 427.201122
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3C(C([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O
Structure:
CAS RN: 3671-38-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H73NO15
MOLECULAR WEIGHT: 868.05882
SMILES: C[C@H]1CC[C@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)NC1
Structure:
CAS RN: 3393-25-7
CAS Name: [(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-2-oxolanyl]methyl [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl
OPENEYE Name: [(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hyd
IUPAC Name: [(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-(4-azanyl-2-oxidanylidene-pyrimidin-1
MOLECULAR FORMULA: C29H37N13O18P2
MOLECULAR WEIGHT: 917.627902
SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=NC5=C4N=CN=C5N)CO)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)N7C=NC8=C7NC(=NC8=O)N)O)O)O
Structure:
CAS RN: 2956-58-3
CAS Name: N-[2-(1-oxoprop-2-enylamino)ethyl]-2-propenamide
OPENEYE Name: N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide
IUPAC Name: N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide
SYSTEMATIC NAME: N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide
MOLECULAR FORMULA: C8H12N2O2
MOLECULAR WEIGHT: 168.19308
SMILES: C=CC(=O)NCCNC(=O)C=C
Structure:
CAS RN: 10112-45-5
CAS Name: iron(3+); oxalate
OPENEYE Name: diferric oxalate
IUPAC Name: iron(3+); oxalate
SYSTEMATIC NAME: ethanedioate; iron(3+)
MOLECULAR FORMULA: C6Fe2O12
MOLECULAR WEIGHT: 375.747
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Fe+3].[Fe+3]
Structure:
CAS RN: 15843-42-2
CAS Name: iron(3+); oxalate
OPENEYE Name: diferric oxalate
IUPAC Name: iron(3+); oxalate
SYSTEMATIC NAME: ethanedioate; iron(3+)
MOLECULAR FORMULA: C6Fe2O12
MOLECULAR WEIGHT: 375.747
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Fe+3].[Fe+3]
Structure:
CAS RN: 17856-16-5
CAS Name: iron(3+); oxalate
OPENEYE Name: diferric oxalate
IUPAC Name: iron(3+); oxalate
SYSTEMATIC NAME: ethanedioate; iron(3+)
MOLECULAR FORMULA: C6Fe2O12
MOLECULAR WEIGHT: 375.747
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Fe+3].[Fe+3]
Structure:
CAS RN: 23285-61-2
CAS Name: iron(3+); oxalate
OPENEYE Name: diferric oxalate
IUPAC Name: iron(3+); oxalate
SYSTEMATIC NAME: ethanedioate; iron(3+)
MOLECULAR FORMULA: C6Fe2O12
MOLECULAR WEIGHT: 375.747
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Fe+3].[Fe+3]
Structure:
CAS RN: 2944-66-3
CAS Name: iron(3+); oxalate
OPENEYE Name: diferric oxalate
IUPAC Name: iron(3+); oxalate
SYSTEMATIC NAME: ethanedioate; iron(3+)
MOLECULAR FORMULA: C6Fe2O12
MOLECULAR WEIGHT: 375.747
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Fe+3].[Fe+3]
Structure:
CAS RN: 59683-70-4
CAS Name: iron(3+); oxalate
OPENEYE Name: diferric oxalate
IUPAC Name: iron(3+); oxalate
SYSTEMATIC NAME: ethanedioate; iron(3+)
MOLECULAR FORMULA: C6Fe2O12
MOLECULAR WEIGHT: 375.747
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Fe+3].[Fe+3]
Structure:
CAS RN: 2491-70-5
CAS Name: 4-(4-sulfophenyl)azobenzenesulfonic acid
OPENEYE Name: 4-(4-sulfophenyl)azobenzenesulfonic acid
IUPAC Name: 4-[(4-sulfophenyl)diazenyl]benzenesulfonic acid
SYSTEMATIC NAME: 4-[(4-sulfophenyl)diazenyl]benzenesulfonic acid
MOLECULAR FORMULA: C12H10N2O6S2
MOLECULAR WEIGHT: 342.3476
SMILES: C1=CC(=CC=C1N=NC2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 2717-16-0
CAS Name: 2-(2-hydroxyethylamino)ethanol; octadecanoic acid
OPENEYE Name: 2-(2-hydroxyethylamino)ethanol; stearic acid
IUPAC Name: 2-(2-hydroxyethylamino)ethanol; octadecanoic acid
SYSTEMATIC NAME: 2-(2-hydroxyethylamino)ethanol; octadecanoic acid
MOLECULAR FORMULA: C22H47NO4
MOLECULAR WEIGHT: 389.61288
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.C(CO)NCCO
Structure:
CAS RN: 5933-37-9
CAS Name: 2-(2-hydroxyethylamino)ethanol; octadecanoic acid
OPENEYE Name: 2-(2-hydroxyethylamino)ethanol; stearic acid
IUPAC Name: 2-(2-hydroxyethylamino)ethanol; octadecanoic acid
SYSTEMATIC NAME: 2-(2-hydroxyethylamino)ethanol; octadecanoic acid
MOLECULAR FORMULA: C22H47NO4
MOLECULAR WEIGHT: 389.61288
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.C(CO)NCCO
Structure:
CAS RN: 2577-32-4
CAS Name: sodium 4-amino-N-(6-methoxy-3-pyridazinyl)benzenesulfonamide
OPENEYE Name: sodium 4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide
IUPAC Name: sodium 4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide
SYSTEMATIC NAME: sodium 4-azanyl-N-(6-methoxypyridazin-3-yl)benzenesulfonamide
MOLECULAR FORMULA: C11H12N4NaO3S+
MOLECULAR WEIGHT: 303.29275
SMILES: COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N.[Na+]
Structure:
CAS RN: 25384-54-7
CAS Name: (1R)-1-[[(4aR)-2-ethyl-6,7-dimethoxy-1,4,4a,9,10,10a-hexahydrophenanthren-3-yl]methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline dihydrochloride
OPENEYE Name: (1R)-1-[[(4aR)-2-ethyl-6,7-dimethoxy-1,4,4a,9,10,10a-hexahydrophenanthren-3-yl]methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline dihydrochloride
IUPAC Name: (1R)-1-[[(4aR)-2-ethyl-6,7-dimethoxy-1,4,4a,9,10,10a-hexahydrophenanthren-3-yl]methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline dihydrochloride
SYSTEMATIC NAME: (1R)-1-[[(4aR)-2-ethyl-6,7-dimethoxy-1,4,4a,9,10,10a-hexahydrophenanthren-3-yl]methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline dihydrochloride
MOLECULAR FORMULA: C30H41Cl2NO4
MOLECULAR WEIGHT: 550.55684
SMILES: CCC1=C(C[C@@H]2C(C1)CCC3=CC(=C(C=C23)OC)OC)C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC.Cl.Cl
Structure:
CAS RN: 2147-15-1
CAS Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)-3-oxolanyl] [(2R,3S)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl hydrogen phosphate
OPENEYE Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [(2R,3S)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
IUPAC Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate
MOLECULAR FORMULA: C20H27N7O13P2
MOLECULAR WEIGHT: 635.415002
SMILES: CC1=CN(C(=O)NC1=O)C2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O)N4C=NC5=C4N=CN=C5N)O
Structure:
CAS RN: 243-69-6
CAS Name: (3S,4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-4,4,6a,6b,9,9,12a,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a-hexadecahydropicen-3-ol
OPENEYE Name: (3S,4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-4,4,6a,6b,9,9,12a,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a-hexadecahydropicen-3-ol
IUPAC Name: (3S,4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-4,4,6a,6b,9,9,12a,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a-hexadecahydropicen-3-ol
SYSTEMATIC NAME: (3S,4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-4,4,6a,6b,9,9,12a,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a-hexadecahydropicen-3-ol
MOLECULAR FORMULA: C30H52O
MOLECULAR WEIGHT: 428.73328
SMILES: C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)(C)C
Structure:
CAS RN: 2129-99-9
CAS Name: 2-aminoethanol; octadecanoic acid
OPENEYE Name: 2-aminoethanol; stearic acid
IUPAC Name: 2-aminoethanol; octadecanoic acid
SYSTEMATIC NAME: 2-azanylethanol; octadecanoic acid
MOLECULAR FORMULA: C20H43NO3
MOLECULAR WEIGHT: 345.56032
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.C(CO)N
Structure:
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