CAS RN: 94113-58-3
CAS Name: N-[2-(1-aziridinyl)-2-[[1-(1-aziridinyl)-2-(1-oxooctadecylamino)ethyl]-(2-chloro-2-hydroxyethyl)amino]ethyl]octadecanamide
OPENEYE Name: N-[2-(aziridin-1-yl)-2-[[1-(aziridin-1-yl)-2-(octadecanoylamino)ethyl]-(2-chloro-2-hydroxy-ethyl)amino]ethyl]octadecanamide
IUPAC Name: N-[2-(aziridin-1-yl)-2-[[1-(aziridin-1-yl)-2-(octadecanoylamino)ethyl]-(2-chloro-2-hydroxyethyl)amino]ethyl]octadecanamide
SYSTEMATIC NAME: N-[2-(aziridin-1-yl)-2-[[1-(aziridin-1-yl)-2-(octadecanoylamino)ethyl]-(2-chloranyl-2-oxidanyl-ethyl)amino]ethyl]octadecanamide
MOLECULAR FORMULA: C46H90ClN5O3
MOLECULAR WEIGHT: 796.6915
SMILES: CCCCCCCCCCCCCCCCCC(=O)NCC(N1CC1)N(CC(O)Cl)C(CNC(=O)CCCCCCCCCCCCCCCCC)N2CC2
CAS RN: 12224-04-3
CAS Name: disodium 7-(diethylamino)-4-methyl-1-benzopyran-2-one sulfate
OPENEYE Name: disodium 7-(diethylamino)-4-methyl-chromen-2-one sulfate
IUPAC Name: disodium 7-(diethylamino)-4-methylchromen-2-one sulfate
SYSTEMATIC NAME: disodium 7-(diethylamino)-4-methyl-chromen-2-one sulfate
MOLECULAR FORMULA: C14H17NNa2O6S
MOLECULAR WEIGHT: 373.33242
SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C.[O-]S(=O)(=O)[O-].[Na+].[Na+]
CAS RN: 1340-71-2
CAS Name: disodium 7-(diethylamino)-4-methyl-1-benzopyran-2-one sulfate
OPENEYE Name: disodium 7-(diethylamino)-4-methyl-chromen-2-one sulfate
IUPAC Name: disodium 7-(diethylamino)-4-methylchromen-2-one sulfate
SYSTEMATIC NAME: disodium 7-(diethylamino)-4-methyl-chromen-2-one sulfate
MOLECULAR FORMULA: C14H17NNa2O6S
MOLECULAR WEIGHT: 373.33242
SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C.[O-]S(=O)(=O)[O-].[Na+].[Na+]
CAS RN: 1340-72-3
CAS Name: disodium 7-(diethylamino)-4-methyl-1-benzopyran-2-one sulfate
OPENEYE Name: disodium 7-(diethylamino)-4-methyl-chromen-2-one sulfate
IUPAC Name: disodium 7-(diethylamino)-4-methylchromen-2-one sulfate
SYSTEMATIC NAME: disodium 7-(diethylamino)-4-methyl-chromen-2-one sulfate
MOLECULAR FORMULA: C14H17NNa2O6S
MOLECULAR WEIGHT: 373.33242
SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C.[O-]S(=O)(=O)[O-].[Na+].[Na+]
CAS RN: 39471-50-6
CAS Name: disodium 7-(diethylamino)-4-methyl-1-benzopyran-2-one sulfate
OPENEYE Name: disodium 7-(diethylamino)-4-methyl-chromen-2-one sulfate
IUPAC Name: disodium 7-(diethylamino)-4-methylchromen-2-one sulfate
SYSTEMATIC NAME: disodium 7-(diethylamino)-4-methyl-chromen-2-one sulfate
MOLECULAR FORMULA: C14H17NNa2O6S
MOLECULAR WEIGHT: 373.33242
SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C.[O-]S(=O)(=O)[O-].[Na+].[Na+]
CAS RN: 51848-33-0
CAS Name: disodium 7-(diethylamino)-4-methyl-1-benzopyran-2-one sulfate
OPENEYE Name: disodium 7-(diethylamino)-4-methyl-chromen-2-one sulfate
IUPAC Name: disodium 7-(diethylamino)-4-methylchromen-2-one sulfate
SYSTEMATIC NAME: disodium 7-(diethylamino)-4-methyl-chromen-2-one sulfate
MOLECULAR FORMULA: C14H17NNa2O6S
MOLECULAR WEIGHT: 373.33242
SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C.[O-]S(=O)(=O)[O-].[Na+].[Na+]
CAS RN: 52051-36-2
CAS Name: disodium 7-(diethylamino)-4-methyl-1-benzopyran-2-one sulfate
OPENEYE Name: disodium 7-(diethylamino)-4-methyl-chromen-2-one sulfate
IUPAC Name: disodium 7-(diethylamino)-4-methylchromen-2-one sulfate
SYSTEMATIC NAME: disodium 7-(diethylamino)-4-methyl-chromen-2-one sulfate
MOLECULAR FORMULA: C14H17NNa2O6S
MOLECULAR WEIGHT: 373.33242
SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C.[O-]S(=O)(=O)[O-].[Na+].[Na+]
CAS RN: 8066-05-5
CAS Name: disodium 7-(diethylamino)-4-methyl-1-benzopyran-2-one sulfate
OPENEYE Name: disodium 7-(diethylamino)-4-methyl-chromen-2-one sulfate
IUPAC Name: disodium 7-(diethylamino)-4-methylchromen-2-one sulfate
SYSTEMATIC NAME: disodium 7-(diethylamino)-4-methyl-chromen-2-one sulfate
MOLECULAR FORMULA: C14H17NNa2O6S
MOLECULAR WEIGHT: 373.33242
SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C.[O-]S(=O)(=O)[O-].[Na+].[Na+]
CAS RN: 84455-39-0
CAS Name: (2Z)-5-phenyl-2-[(2Z)-2-[(5-phenyl-3-propyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-3-propyl-1,3-benzoxazole iodide
OPENEYE Name: (2Z)-5-phenyl-2-[(2Z)-2-[(5-phenyl-3-propyl-1,3-benzoxazol-3-ium-2-yl)methylene]butylidene]-3-propyl-1,3-benzoxazole iodide
IUPAC Name: (2Z)-5-phenyl-2-[(2Z)-2-[(5-phenyl-3-propyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-3-propyl-1,3-benzoxazole iodide
SYSTEMATIC NAME: (2Z)-5-phenyl-2-[(2Z)-2-[(5-phenyl-3-propyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-3-propyl-1,3-benzoxazole iodide
MOLECULAR FORMULA: C37H37IN2O2
MOLECULAR WEIGHT: 668.60635
SMILES: CCCN\1C2=C(C=CC(=C2)C3=CC=CC=C3)O/C1=C\C(=C/C4=[N+](C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CCC)\CC.[I-]
CAS RN: 72259-86-0
CAS Name: 2-azepanone; 2,4-diisocyanato-1-methylbenzene; 2-[2-hydroxyethyl(methyl)amino]ethanol
OPENEYE Name: azepan-2-one; 2,4-diisocyanato-1-methyl-benzene; 2-[2-hydroxyethyl(methyl)amino]ethanol
IUPAC Name: azepan-2-one; 2,4-diisocyanato-1-methylbenzene; 2-[2-hydroxyethyl(methyl)amino]ethanol
SYSTEMATIC NAME: azepan-2-one; 2,4-diisocyanato-1-methyl-benzene; 2-[2-hydroxyethyl(methyl)amino]ethanol
MOLECULAR FORMULA: C20H30N4O5
MOLECULAR WEIGHT: 406.476
SMILES: CC1=C(C=C(C=C1)N=C=O)N=C=O.CN(CCO)CCO.C1CCC(=O)NCC1
CAS RN: 68958-01-0
CAS Name: N,2-dimethyl-2-propenamide; 2-methyl-2-propenoic acid methyl ester
OPENEYE Name: N,2-dimethylprop-2-enamide; methyl 2-methylprop-2-enoate
IUPAC Name: N,2-dimethylprop-2-enamide; methyl 2-methylprop-2-enoate
SYSTEMATIC NAME: N,2-dimethylprop-2-enamide; methyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C10H17NO3
MOLECULAR WEIGHT: 199.24688
SMILES: CC(=C)C(=O)NC.CC(=C)C(=O)OC
CAS RN: 94135-83-8
CAS Name: 4-chloro-3-[4-[2-[decoxy(oxo)methyl]phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
OPENEYE Name: 4-chloro-3-[4-(2-decoxycarbonylphenyl)azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
IUPAC Name: 4-chloro-3-[4-[(2-decoxycarbonylphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
SYSTEMATIC NAME: 4-chloranyl-3-[4-[(2-decoxycarbonylphenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid
MOLECULAR FORMULA: C27H33ClN4O6S
MOLECULAR WEIGHT: 577.09212
SMILES: CCCCCCCCCCOC(=O)C1=CC=CC=C1N=NC2C(=NN(C2=O)C3=C(C=CC(=C3)S(=O)(=O)O)Cl)C
CAS RN: 13572-62-8
CAS Name: 3-(2,3-dihydroxypropyl)-2-methyl-4-quinazolinone; (4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanesulfonic acid
OPENEYE Name: 3-(2,3-dihydroxypropyl)-2-methyl-quinazolin-4-one; (4S)-4,7,7-trimethyl-3-oxo-norbornane-2-sulfonic acid
IUPAC Name: 3-(2,3-dihydroxypropyl)-2-methylquinazolin-4-one; (4S)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonic acid
SYSTEMATIC NAME: 3-[2,3-bis(oxidanyl)propyl]-2-methyl-quinazolin-4-one; (4S)-4,7,7-trimethyl-3-oxidanylidene-bicyclo[2.2.1]heptane-2-sulfonic acid
MOLECULAR FORMULA: C22H30N2O7S
MOLECULAR WEIGHT: 466.5478
SMILES: CC1=NC2=CC=CC=C2C(=O)N1CC(CO)O.C[C@]12CCC(C1(C)C)C(C2=O)S(=O)(=O)O
CAS RN: 84029-76-5
CAS Name: (Z)-2-butenedioic acid O4-[[(Z)-1,4-dioxo-4-tetradecoxybut-2-enoxy]-didodecylstannyl] ester O1-tetradecyl ester
OPENEYE Name: O4-[didodecyl-[(Z)-4-oxo-4-tetradecoxy-but-2-enoyl]oxy-stannyl] O1-tetradecyl (Z)-but-2-enedioate
IUPAC Name: 4-O-[didodecyl-[(Z)-4-oxo-4-tetradecoxybut-2-enoyl]oxystannyl] 1-O-tetradecyl (Z)-but-2-enedioate
SYSTEMATIC NAME: O4-[didodecyl-[(Z)-4-oxidanylidene-4-tetradecoxy-but-2-enoyl]oxy-stannyl] O1-tetradecyl (Z)-but-2-enedioate
MOLECULAR FORMULA: C60H112O8Sn
MOLECULAR WEIGHT: 1080.23648
SMILES: CCCCCCCCCCCCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC
CAS RN: 83949-37-5
CAS Name: 4-methyl-4-phenylpiperidine hydrochloride
OPENEYE Name: 4-methyl-4-phenyl-piperidine hydrochloride
IUPAC Name: 4-methyl-4-phenylpiperidine hydrochloride
SYSTEMATIC NAME: 4-methyl-4-phenyl-piperidine hydrochloride
MOLECULAR FORMULA: C12H18ClN
MOLECULAR WEIGHT: 211.73102
SMILES: CC1(CCNCC1)C2=CC=CC=C2.Cl
CAS RN: 85187-81-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H30N2O5S
MOLECULAR WEIGHT: 518.6239
SMILES: CC[N+]1=C(C2=CC=CC3=C2C1=CC=C3)C4=CC=C(C=C4)N(C)C5=CC=C(C=C5)OCC.COS(=O)(=O)[O-]
CAS RN: 84145-74-4
CAS Name: 2-[3,4-bis(hydroxymethoxy)phenyl]-5-hydroxy-7-(hydroxymethoxy)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 2-[3,4-bis(hydroxymethoxy)phenyl]-5-hydroxy-7-(hydroxymethoxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 2-[3,4-bis(hydroxymethoxy)phenyl]-5-hydroxy-7-(hydroxymethoxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(hydroxymethyloxy)phenyl]-7-(hydroxymethyloxy)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C30H36O19
MOLECULAR WEIGHT: 700.59544
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCO)C5=CC(=C(C=C5)OCO)OCO)O)O)O)O)O)O
CAS RN: 94231-46-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H26O2
MOLECULAR WEIGHT: 238.36574
SMILES: COCCCCC1(CC2C3CCC(C3)C2C1)O
CAS RN: 93857-61-5
CAS Name: trisodium 2-[[(6Z)-6-[[2-[4-[[(7Z)-1-amino-8-oxo-7-(phenylhydrazinylidene)-3,6-disulfonato-2-naphthalenyl]azo]phenyl]-3H-benzimidazol-5-yl]hydrazinylidene]-3-oxo-1-cyclohexa-1,4-dienyl]amino]acetate
OPENEYE Name: trisodium 2-[[(6Z)-6-[[2-[4-[[(7Z)-1-amino-8-oxo-7-(phenylhydrazono)-3,6-disulfonato-2-naphthyl]azo]phenyl]-3H-benzimidazol-5-yl]hydrazono]-3-oxo-cyclohexa-1,4-dien-1-yl]amino]acetate
IUPAC Name: trisodium 2-[[(6Z)-6-[[2-[4-[[(7Z)-1-amino-8-oxo-7-(phenylhydrazinylidene)-3,6-disulfonatonaphthalen-2-yl]diazenyl]phenyl]-3H-benzimidazol-5-yl]hydrazinylidene]-3-oxocyclohexa-1,4-dien-1-yl]amino]acetate
SYSTEMATIC NAME: trisodium 2-[[(6Z)-6-[[2-[4-[[(7Z)-1-azanyl-8-oxidanylidene-7-(phenylhydrazinylidene)-3,6-disulfonato-naphthalen-2-yl]diazenyl]phenyl]-3H-benzimidazol-5-yl]hydrazinylidene]-3-oxidanylidene-cyclohexa-1,4-dien-1-yl]amino]ethanoate
MOLECULAR FORMULA: C37H25N10Na3O10S2
MOLECULAR WEIGHT: 902.75471
SMILES: C1=CC=C(C=C1)N/N=C/2\C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)N/N=C\7/C=CC(=O)C=C7NCC(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
CAS RN: 945745-48-2
CAS Name: [6-[[5-fluoro-2-(3,4,5-trimethylanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-3-oxo-4-pyrido[3,2-b][1,4]oxazinyl]methyl dihydrogen phosphate
OPENEYE Name: [6-[[5-fluoro-2-(3,4,5-trimethylanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxo-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate
IUPAC Name: [6-[[5-fluoro-2-(3,4,5-trimethylanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [6-[[5-fluoranyl-2-[(3,4,5-trimethylphenyl)amino]pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxidanylidene-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C23H26FN6O6P
MOLECULAR WEIGHT: 532.461304
SMILES: CC1=CC(=CC(=C1C)C)NC2=NC=C(C(=N2)NC3=NC4=C(C=C3)OC(C(=O)N4COP(=O)(O)O)(C)C)F
CAS RN: 117272-23-8
CAS Name:
OPENEYE Name:
IUPAC Name:
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MOLECULAR FORMULA: C28H38O8
MOLECULAR WEIGHT: 502.59652
SMILES: CC(=C)C(=O)OCCOC(=O)C(=C)C.C=CC(=O)OCC1CCC2C1C3CC(C2C3)COC(=O)C=C
CAS RN: 94109-46-3
CAS Name: disodium 2-[3-[2-methoxy-5-methyl-4-(2-sulfonatooxyethylsulfonyl)anilino]-6-[methyl(2-sulfonatoethyl)iminio]-9-xanthenyl]benzenesulfonate
OPENEYE Name: disodium 2-[3-[2-methoxy-5-methyl-4-(2-sulfonatooxyethylsulfonyl)anilino]-6-[methyl(2-sulfonatoethyl)iminio]xanthen-9-yl]benzenesulfonate
IUPAC Name: disodium 2-[3-[2-methoxy-5-methyl-4-(2-sulfonatooxyethylsulfonyl)anilino]-6-[methyl(2-sulfonatoethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate
SYSTEMATIC NAME: disodium 2-[3-[[2-methoxy-5-methyl-4-(2-sulfonatooxyethylsulfonyl)phenyl]amino]-6-[methyl(2-sulfonatoethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate
MOLECULAR FORMULA: C32H30N2Na2O14S4
MOLECULAR WEIGHT: 840.82514
SMILES: CC1=CC(=C(C=C1S(=O)(=O)CCOS(=O)(=O)[O-])OC)NC2=CC3=C(C=C2)C(=C4C=CC(=[N+](C)CCS(=O)(=O)[O-])C=C4O3)C5=CC=CC=C5S(=O)(=O)[O-].[Na+].[Na+]
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