CAS RN: 74082-24-9
CAS Name: 2-[4-[3-[4-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]-2-oxadiaziridinyl]phenyl]benzo[e]benzotriazole-6,8-disulfonic acid
OPENEYE Name: 2-[4-[3-[4-[(E)-2-(4-nitro-2-sulfo-phenyl)vinyl]-3-sulfo-phenyl]oxadiaziridin-2-yl]phenyl]benzo[e]benzotriazole-6,8-disulfonic acid
IUPAC Name: 2-[4-[3-[4-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]oxadiaziridin-2-yl]phenyl]benzo[e]benzotriazole-6,8-disulfonic acid
SYSTEMATIC NAME: 2-[4-[3-[4-[(E)-2-(4-nitro-2-sulfo-phenyl)ethenyl]-3-sulfo-phenyl]-1,2,3-oxadiaziridin-2-yl]phenyl]benzo[e]benzotriazole-6,8-disulfonic acid
MOLECULAR FORMULA: C30H20N6O15S4
MOLECULAR WEIGHT: 832.771
SMILES: C1=CC(=CC=C1N2N=C3C=CC4=C(C=C(C=C4C3=N2)S(=O)(=O)O)S(=O)(=O)O)N5N(O5)C6=CC(=C(C=C6)/C=C/C7=C(C=C(C=C7)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O
CAS RN: 83918-73-4
CAS Name: acetic acid; 1-(diphenylmethyl)piperazine
OPENEYE Name: acetic acid; 1-benzhydrylpiperazine
IUPAC Name: acetic acid; 1-benzhydrylpiperazine
SYSTEMATIC NAME: 1-(diphenylmethyl)piperazine; ethanoic acid
MOLECULAR FORMULA: C19H24N2O2
MOLECULAR WEIGHT: 312.40606
SMILES: CC(=O)O.C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=CC=C3
CAS RN: 93843-09-5
CAS Name: (E)-N-[2-(1-piperazinyl)ethyl]-2-undecenamide
OPENEYE Name: (E)-N-(2-piperazin-1-ylethyl)undec-2-enamide
IUPAC Name: (E)-N-(2-piperazin-1-ylethyl)undec-2-enamide
SYSTEMATIC NAME: (E)-N-(2-piperazin-1-ylethyl)undec-2-enamide
MOLECULAR FORMULA: C17H33N3O
MOLECULAR WEIGHT: 295.46342
SMILES: CCCCCCCC/C=C/C(=O)NCCN1CCNCC1
CAS RN: 93803-84-0
CAS Name: 1,3-dibromo-2-(2,3-dibromopropoxy)-5-(7-methyloctyl)benzene
OPENEYE Name: 1,3-dibromo-2-(2,3-dibromopropoxy)-5-(7-methyloctyl)benzene
IUPAC Name: 1,3-dibromo-2-(2,3-dibromopropoxy)-5-(7-methyloctyl)benzene
SYSTEMATIC NAME: 2-[2,3-bis(bromanyl)propoxy]-1,3-bis(bromanyl)-5-(7-methyloctyl)benzene
MOLECULAR FORMULA: C18H26Br4O
MOLECULAR WEIGHT: 578.01444
SMILES: CC(C)CCCCCCC1=CC(=C(C(=C1)Br)OCC(CBr)Br)Br
CAS RN: 94071-02-0
CAS Name: (2S)-2,6-bis[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexyl]amino]hexanoic acid
OPENEYE Name: (2S)-2,6-bis[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]hexanoic acid
IUPAC Name: (2S)-2,6-bis[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]hexanoic acid
SYSTEMATIC NAME: (2S)-2,6-bis[[(2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoyl]amino]hexanoic acid
MOLECULAR FORMULA: C18H34N2O14
MOLECULAR WEIGHT: 502.46756
SMILES: C(CCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C[C@@H](C(=O)O)NC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
CAS RN: 73018-27-6
CAS Name: disodium 2-(2-ethoxyethoxy)ethyl phosphate
OPENEYE Name: disodium 2-(2-ethoxyethoxy)ethyl phosphate
IUPAC Name: disodium 2-(2-ethoxyethoxy)ethyl phosphate
SYSTEMATIC NAME: disodium 2-(2-ethoxyethoxy)ethyl phosphate
MOLECULAR FORMULA: C6H13Na2O6P
MOLECULAR WEIGHT: 258.117121
SMILES: CCOCCOCCOP(=O)([O-])[O-].[Na+].[Na+]
CAS RN: 85187-79-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C56H54N4O6S
MOLECULAR WEIGHT: 911.11616
SMILES: CC[N+]1=C(C2=CC=CC3=C2C1=CC=C3)C4=CC=C(C=C4)N(C)C5=CC=C(C=C5)OCC.CC[N+]1=C(C2=CC=CC3=C2C1=CC=C3)C4=CC=C(C=C4)N(C)C5=CC=C(C=C5)OCC.[O-]S(=O)(=O)[O-]
CAS RN: 84434-32-2
CAS Name: 2-[(2Z)-5,6-dichloro-2-[(E)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-3-methyl-1-benzimidazolyl]ethanol; 4-methylbenzenesulfonic acid
OPENEYE Name: 2-[(2Z)-5,6-dichloro-2-[(E)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-3-methyl-benzimidazol-1-yl]ethanol; 4-methylbenzenesulfonic acid
IUPAC Name: 2-[(2Z)-5,6-dichloro-2-[(E)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-3-methylbenzimidazol-1-yl]ethanol; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: 2-[(2Z)-5,6-bis(chloranyl)-2-[(E)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-3-methyl-benzimidazol-1-yl]ethanol; 4-methylbenzenesulfonic acid
MOLECULAR FORMULA: C35H34Cl2N3O5S+
MOLECULAR WEIGHT: 679.63256
SMILES: CC[N+]1=C(OC2=C1C=C(C=C2)C3=CC=CC=C3)/C=C/C=C\4/N(C5=CC(=C(C=C5N4CCO)Cl)Cl)C.CC1=CC=C(C=C1)S(=O)(=O)O
CAS RN: 71501-62-7
CAS Name: sodium; 2-[3,5-di(nonyl)phenyl]oxirane; hydrogen sulfate; 2-methyloxirane
OPENEYE Name: sodium; 2-[3,5-di(nonyl)phenyl]oxirane; hydrogen sulfate; 2-methyloxirane
IUPAC Name: sodium; 2-[3,5-di(nonyl)phenyl]oxirane; hydrogen sulfate; 2-methyloxirane
SYSTEMATIC NAME: sodium; 2-[3,5-di(nonyl)phenyl]oxirane; hydrogen sulfate; 2-methyloxirane
MOLECULAR FORMULA: C29H51NaO6S
MOLECULAR WEIGHT: 550.76641
SMILES: CCCCCCCCCC1=CC(=CC(=C1)C2CO2)CCCCCCCCC.CC1CO1.OS(=O)(=O)[O-].[Na+]
CAS RN: 133554-25-3
CAS Name: sodium; hydrogen peroxide; phosphonato phosphate
OPENEYE Name: sodium; hydrogen peroxide; phosphonato phosphate
IUPAC Name: sodium; hydrogen peroxide; phosphonato phosphate
SYSTEMATIC NAME: sodium; hydrogen peroxide; phosphonato phosphate
MOLECULAR FORMULA: H2NaO9P2-3
MOLECULAR WEIGHT: 230.947772
SMILES: OO.[O-]P(=O)([O-])OP(=O)([O-])[O-].[Na+]
CAS RN: 15039-07-3
CAS Name: sodium; hydrogen peroxide; phosphonato phosphate
OPENEYE Name: sodium; hydrogen peroxide; phosphonato phosphate
IUPAC Name: sodium; hydrogen peroxide; phosphonato phosphate
SYSTEMATIC NAME: sodium; hydrogen peroxide; phosphonato phosphate
MOLECULAR FORMULA: H2NaO9P2-3
MOLECULAR WEIGHT: 230.947772
SMILES: OO.[O-]P(=O)([O-])OP(=O)([O-])[O-].[Na+]
CAS RN: 93918-72-0
CAS Name: diammonium erbium(3+) pentanitrate
OPENEYE Name: diammonium erbium(3+) pentanitrate
IUPAC Name: diazanium erbium(3+) pentanitrate
SYSTEMATIC NAME: diazanium erbium(3+) pentanitrate
MOLECULAR FORMULA: ErH8N7O15
MOLECULAR WEIGHT: 513.36042
SMILES: [NH4+].[NH4+].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Er+3]
CAS RN: 71648-30-1
CAS Name: 7-ethoxysulfonyl-4,5-dihydroxy-2-naphthalenesulfonic acid
OPENEYE Name: 7-ethoxysulfonyl-4,5-dihydroxy-naphthalene-2-sulfonic acid
IUPAC Name: 7-ethoxysulfonyl-4,5-dihydroxynaphthalene-2-sulfonic acid
SYSTEMATIC NAME: 7-ethoxysulfonyl-4,5-bis(oxidanyl)naphthalene-2-sulfonic acid
MOLECULAR FORMULA: C12H12O8S2
MOLECULAR WEIGHT: 348.34888
SMILES: CCOS(=O)(=O)C1=CC2=CC(=CC(=C2C(=C1)O)O)S(=O)(=O)O
CAS RN: 72437-38-8
CAS Name: 6-[4,6-bis(4,6-diamino-1,3,5-triazin-2-yl)hexyl]-1,3,5-triazine-2,4-diamine; 1,3,5-triazinane-2,4,6-trione
OPENEYE Name: 6-[4,6-bis(4,6-diamino-1,3,5-triazin-2-yl)hexyl]-1,3,5-triazine-2,4-diamine; 1,3,5-triazinane-2,4,6-trione
IUPAC Name: 6-[4,6-bis(4,6-diamino-1,3,5-triazin-2-yl)hexyl]-1,3,5-triazine-2,4-diamine; 1,3,5-triazinane-2,4,6-trione
SYSTEMATIC NAME: 6-[4,6-bis[4,6-bis(azanyl)-1,3,5-triazin-2-yl]hexyl]-1,3,5-triazine-2,4-diamine; 1,3,5-triazinane-2,4,6-trione
MOLECULAR FORMULA: C18H26N18O3
MOLECULAR WEIGHT: 542.51784
SMILES: C(CC1=NC(=NC(=N1)N)N)CC(CCC2=NC(=NC(=N2)N)N)C3=NC(=NC(=N3)N)N.C1(=O)NC(=O)NC(=O)N1
CAS RN: 85223-26-3
CAS Name: 2-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)methyl]pyridine
OPENEYE Name: 2-[(1,7,7-trimethylnorbornan-2-yl)methyl]pyridine
IUPAC Name: 2-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)methyl]pyridine
SYSTEMATIC NAME: 2-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)methyl]pyridine
MOLECULAR FORMULA: C16H23N
MOLECULAR WEIGHT: 229.36052
SMILES: CC1(C2CCC1(C(C2)CC3=CC=CC=N3)C)C
CAS RN: 83721-41-9
CAS Name: trisodium 4-(benzenesulfonyloxy)-5-[5-methoxy-2-methyl-4-[[oxo-[[(6Z)-5-oxo-6-(phenylhydrazinylidene)-7-sulfonato-2-naphthalenyl]amino]methyl]amino]phenyl]azonaphthalene-2,7-disulfonate
OPENEYE Name: trisodium 4-(benzenesulfonyloxy)-5-[5-methoxy-2-methyl-4-[[(6Z)-5-oxo-6-(phenylhydrazono)-7-sulfonato-2-naphthyl]carbamoylamino]phenyl]azo-naphthalene-2,7-disulfonate
IUPAC Name: trisodium 4-(benzenesulfonyloxy)-5-[[5-methoxy-2-methyl-4-[[(6Z)-5-oxo-6-(phenylhydrazinylidene)-7-sulfonatonaphthalen-2-yl]carbamoylamino]phenyl]diazenyl]naphthalene-2,7-disulfonate
SYSTEMATIC NAME: trisodium 4-[[5-methoxy-2-methyl-4-[[(6Z)-5-oxidanylidene-6-(phenylhydrazinylidene)-7-sulfonato-naphthalen-2-yl]carbamoylamino]phenyl]diazenyl]-5-(phenylsulfonyloxy)naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C41H29N6Na3O15S4
MOLECULAR WEIGHT: 1042.92947
SMILES: CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3OS(=O)(=O)C4=CC=CC=C4)S(=O)(=O)[O-])OC)NC(=O)NC5=CC6=C(C=C5)C(=O)/C(=N/NC7=CC=CC=C7)/C(=C6)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
CAS RN: 159811-51-5
CAS Name: (8S,11R,13R,17R)-17-acetyl-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,11R,13R,17R)-17-acetyl-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,11R,13R,17R)-17-acetyl-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,11R,13R,17R)-11-[4-(dimethylamino)phenyl]-17-ethanoyl-13-methyl-17-oxidanyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C28H35NO3
MOLECULAR WEIGHT: 433.5824
SMILES: CC(=O)[C@]1(CCC2[C@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)O
CAS RN: 84029-61-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H10N2
MOLECULAR WEIGHT: 170.2105
SMILES: CC1=C2CCC3=C2C(=CC=C3)N=N1
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