CAS RN: 85029-84-1
CAS Name: 4-hydroxy-6-spiro[6aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]one
OPENEYE Name: 4-hydroxyspiro[6aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-one
IUPAC Name: 4-hydroxyspiro[6aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-one
SYSTEMATIC NAME: 4-oxidanylspiro[6aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-one
MOLECULAR FORMULA: C10H12O5
MOLECULAR WEIGHT: 212.19928
SMILES: C1CCC2(CC1)OC3C(=C(OC3=O)O)O2
CAS RN: 85199-88-8
CAS Name: bicyclo[2.2.1]heptane-3,4-dicarboxaldehyde
OPENEYE Name: norbornane-1,2-dicarbaldehyde
IUPAC Name: bicyclo[2.2.1]heptane-3,4-dicarbaldehyde
SYSTEMATIC NAME: bicyclo[2.2.1]heptane-3,4-dicarbaldehyde
MOLECULAR FORMULA: C9H12O2
MOLECULAR WEIGHT: 152.19038
SMILES: C1CC2(CC1CC2C=O)C=O
CAS RN: 94089-19-7
CAS Name: N-butyl-1-butanamine; 2-phenylphenol
OPENEYE Name: N-butylbutan-1-amine; 2-phenylphenol
IUPAC Name: N-butylbutan-1-amine; 2-phenylphenol
SYSTEMATIC NAME: N-butylbutan-1-amine; 2-phenylphenol
MOLECULAR FORMULA: C20H29NO
MOLECULAR WEIGHT: 299.45036
SMILES: CCCCNCCCC.C1=CC=C(C=C1)C2=CC=CC=C2O
CAS RN: 12035-29-9
CAS Name: neodymium(3+); oxygen(2-); sulfide
OPENEYE Name: neodymium(3+); oxygen(2-); sulfide
IUPAC Name: neodymium(3+); oxygen(2-); sulfide
SYSTEMATIC NAME: neodymium(3+); oxygen(2-); sulfide
MOLECULAR FORMULA: NdOS-
MOLECULAR WEIGHT: 192.3044
SMILES: [O-2].[S-2].[Nd+3]
CAS RN: 93841-31-7
CAS Name: 5-[dibromo(1H-1,2,4-triazol-5-ylsulfonyl)methyl]sulfonyl-1H-1,2,4-triazole
OPENEYE Name: 5-[dibromo(1H-1,2,4-triazol-5-ylsulfonyl)methyl]sulfonyl-1H-1,2,4-triazole
IUPAC Name: 5-[dibromo(1H-1,2,4-triazol-5-ylsulfonyl)methyl]sulfonyl-1H-1,2,4-triazole
SYSTEMATIC NAME: 5-[bis(bromanyl)-(1H-1,2,4-triazol-5-ylsulfonyl)methyl]sulfonyl-1H-1,2,4-triazole
MOLECULAR FORMULA: C5H4Br2N6O4S2
MOLECULAR WEIGHT: 436.06106
SMILES: C1=NNC(=N1)S(=O)(=O)C(S(=O)(=O)C2=NC=NN2)(Br)Br
CAS RN: 93918-70-8
CAS Name: diammonium dysprosium(3+) pentanitrate
OPENEYE Name: diammonium dysprosium(3+) pentanitrate
IUPAC Name: diazanium dysprosium(3+) pentanitrate
SYSTEMATIC NAME: diazanium dysprosium(3+) pentanitrate
MOLECULAR FORMULA: DyH8N7O15
MOLECULAR WEIGHT: 508.60142
SMILES: [NH4+].[NH4+].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Dy+3]
CAS RN: 79009-21-5
CAS Name: N-[3-(5-methoxy-1,3-benzothiazol-2-yl)-2-oxo-1-benzopyran-7-yl]benzenesulfonamide
OPENEYE Name: N-[3-(5-methoxy-1,3-benzothiazol-2-yl)-2-oxo-chromen-7-yl]benzenesulfonamide
IUPAC Name: N-[3-(5-methoxy-1,3-benzothiazol-2-yl)-2-oxochromen-7-yl]benzenesulfonamide
SYSTEMATIC NAME: N-[3-(5-methoxy-1,3-benzothiazol-2-yl)-2-oxidanylidene-chromen-7-yl]benzenesulfonamide
MOLECULAR FORMULA: C23H16N2O5S2
MOLECULAR WEIGHT: 464.51354
SMILES: COC1=CC2=C(C=C1)SC(=N2)C3=CC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5)OC3=O
CAS RN: 97393-00-5
CAS Name: 1-ethenyl-2-methylbenzene; 2-propenoic acid 2-ethylhexyl ester; styrene
OPENEYE Name: 2-ethylhexyl prop-2-enoate; 1-methyl-2-vinyl-benzene; styrene
IUPAC Name: 1-ethenyl-2-methylbenzene; 2-ethylhexyl prop-2-enoate; styrene
SYSTEMATIC NAME: ethenylbenzene; 1-ethenyl-2-methyl-benzene; 2-ethylhexyl prop-2-enoate
MOLECULAR FORMULA: C28H38O2
MOLECULAR WEIGHT: 406.60012
SMILES: CCCCC(CC)COC(=O)C=C.CC1=CC=CC=C1C=C.C=CC1=CC=CC=C1
CAS RN: 112576-48-4
CAS Name: N-[2-[ethyl-[2-(1-oxooctadecylamino)ethyl]amino]ethyl]octadecanamide; sulfuric acid ethyl ester
OPENEYE Name: ethyl hydrogen sulfate; N-[2-[ethyl-[2-(octadecanoylamino)ethyl]amino]ethyl]octadecanamide
IUPAC Name: ethyl hydrogen sulfate; N-[2-[ethyl-[2-(octadecanoylamino)ethyl]amino]ethyl]octadecanamide
SYSTEMATIC NAME: ethyl hydrogen sulfate; N-[2-[ethyl-[2-(octadecanoylamino)ethyl]amino]ethyl]octadecanamide
MOLECULAR FORMULA: C44H91N3O6S
MOLECULAR WEIGHT: 790.27484
SMILES: CCCCCCCCCCCCCCCCCC(=O)NCCN(CC)CCNC(=O)CCCCCCCCCCCCCCCCC.CCOS(=O)(=O)O
CAS RN: 72939-64-1
CAS Name: sodium 6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-olate
OPENEYE Name: sodium 6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-olate
IUPAC Name: sodium 6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-olate
SYSTEMATIC NAME: sodium 6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-olate
MOLECULAR FORMULA: C6H5N4NaO
MOLECULAR WEIGHT: 172.11987
SMILES: CC1=NN2C=NN=C2C(=C1)[O-].[Na+]
CAS RN: 93904-54-2
CAS Name: diammonium disodium 5-[[2,5-dimethyl-4-(4-sulfonatophenyl)azophenyl]imino-oxidoammonio]-2-[(E)-2-[4-[[2,5-dimethyl-4-(4-sulfonatophenyl)azophenyl]imino-oxidoammonio]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: diammonium disodium 5-[[2,5-dimethyl-4-(4-sulfonatophenyl)azo-phenyl]imino-oxido-ammonio]-2-[(E)-2-[4-[[2,5-dimethyl-4-(4-sulfonatophenyl)azo-phenyl]imino-oxido-ammonio]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: diazanium disodium 5-[[2,5-dimethyl-4-[(4-sulfonatophenyl)diazenyl]phenyl]imino-oxidoazaniumyl]-2-[(E)-2-[4-[[2,5-dimethyl-4-[(4-sulfonatophenyl)diazenyl]phenyl]imino-oxidoazaniumyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: diazanium disodium 5-[[2,5-dimethyl-4-[(4-sulfonatophenyl)diazenyl]phenyl]imino-oxidanidyl-azaniumyl]-2-[(E)-2-[4-[[2,5-dimethyl-4-[(4-sulfonatophenyl)diazenyl]phenyl]imino-oxidanidyl-azaniumyl]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C42H40N10Na2O14S4
MOLECULAR WEIGHT: 1083.06514
SMILES: CC1=CC(=C(C=C1N=[N+](C2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)[N+](=NC4=CC(=C(C=C4C)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])C)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])C)N=NC6=CC=C(C=C6)S(=O)(=O)[O-].[NH4+].[NH4+].[Na+].[Na+]
CAS RN: 149950-42-5
CAS Name: (2R,3S,4S,5R)-2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methoxy]-2,5-bis(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: (2R,3S,4S,5R)-2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methoxy]-2,5-bis(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (2R,3S,4S,5R)-2-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxy]-2,5-bis(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methoxy]oxolane-3,4-diol
MOLECULAR FORMULA: C14H21NO8
MOLECULAR WEIGHT: 331.31844
SMILES: CC1=NC=C(C(=C1O)CO)CO[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO
CAS RN: 84100-09-4
CAS Name: 1-(4-methoxyphenyl)-N-[(E)-(1,3,3-trimethyl-2-indol-1-iumyl)methylideneamino]methanamine carbonate
OPENEYE Name: 1-(4-methoxyphenyl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]methanamine carbonate
IUPAC Name: 1-(4-methoxyphenyl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine carbonate
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine carbonate
MOLECULAR FORMULA: C41H48N6O5
MOLECULAR WEIGHT: 704.85702
SMILES: CC1(C(=[N+](C2=CC=CC=C12)C)/C=N/NCC3=CC=C(C=C3)OC)C.CC1(C(=[N+](C2=CC=CC=C12)C)/C=N/NCC3=CC=C(C=C3)OC)C.C(=O)([O-])[O-]
CAS RN: 94023-78-6
CAS Name: (E)-N-(1-hydroxybutan-2-yl)-2-undecenamide
OPENEYE Name: (E)-N-[1-(hydroxymethyl)propyl]undec-2-enamide
IUPAC Name: (E)-N-(1-hydroxybutan-2-yl)undec-2-enamide
SYSTEMATIC NAME: (E)-N-(1-oxidanylbutan-2-yl)undec-2-enamide
MOLECULAR FORMULA: C15H29NO2
MOLECULAR WEIGHT: 255.39626
SMILES: CCCCCCCC/C=C/C(=O)NC(CC)CO
CAS RN: 151367-95-2
CAS Name: 2-[(3S,8aS)-1,4,6-trioxo-3,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-3-yl]acetamide
OPENEYE Name: 2-[(3S,8aS)-1,4,6-trioxo-3,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-3-yl]acetamide
IUPAC Name: 2-[(3S,8aS)-1,4,6-trioxo-3,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-3-yl]acetamide
SYSTEMATIC NAME: 2-[(3S,8aS)-1,4,6-tris(oxidanylidene)-3,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-3-yl]ethanamide
MOLECULAR FORMULA: C9H11N3O4
MOLECULAR WEIGHT: 225.20134
SMILES: C1CC(=O)N2[C@@H]1C(=O)N[C@H](C2=O)CC(=O)N
CAS RN: 81189-11-9
CAS Name: decanedioic acid; 2-(2-hydroxyethylamino)ethanol
OPENEYE Name: decanedioic acid; 2-(2-hydroxyethylamino)ethanol
IUPAC Name: decanedioic acid; 2-(2-hydroxyethylamino)ethanol
SYSTEMATIC NAME: decanedioic acid; 2-(2-hydroxyethylamino)ethanol
MOLECULAR FORMULA: C18H40N2O8
MOLECULAR WEIGHT: 412.5188
SMILES: C(CCCCC(=O)O)CCCC(=O)O.C(CO)NCCO.C(CO)NCCO
CAS RN: 117158-43-7
CAS Name: cyanic acid [4-[(4-cyanato-3,5-dimethylphenyl)methyl]-2,6-dimethylphenyl] ester; cyanic acid [4-[2-(4-cyanatophenyl)propan-2-yl]phenyl] ester
OPENEYE Name: [4-[(4-cyanato-3,5-dimethyl-phenyl)methyl]-2,6-dimethyl-phenyl] cyanate; [4-[1-(4-cyanatophenyl)-1-methyl-ethyl]phenyl] cyanate
IUPAC Name: [4-[(4-cyanato-3,5-dimethylphenyl)methyl]-2,6-dimethylphenyl] cyanate; [4-[2-(4-cyanatophenyl)propan-2-yl]phenyl] cyanate
SYSTEMATIC NAME: [4-[(4-cyanato-3,5-dimethyl-phenyl)methyl]-2,6-dimethyl-phenyl] cyanate; [4-[2-(4-cyanatophenyl)propan-2-yl]phenyl] cyanate
MOLECULAR FORMULA: C36H32N4O4
MOLECULAR WEIGHT: 584.66368
SMILES: CC1=CC(=CC(=C1OC#N)C)CC2=CC(=C(C(=C2)C)OC#N)C.CC(C)(C1=CC=C(C=C1)OC#N)C2=CC=C(C=C2)OC#N
CAS RN: 143109-50-6
CAS Name: cyanic acid [4-[(4-cyanato-3,5-dimethylphenyl)methyl]-2,6-dimethylphenyl] ester; cyanic acid [4-[2-(4-cyanatophenyl)propan-2-yl]phenyl] ester
OPENEYE Name: [4-[(4-cyanato-3,5-dimethyl-phenyl)methyl]-2,6-dimethyl-phenyl] cyanate; [4-[1-(4-cyanatophenyl)-1-methyl-ethyl]phenyl] cyanate
IUPAC Name: [4-[(4-cyanato-3,5-dimethylphenyl)methyl]-2,6-dimethylphenyl] cyanate; [4-[2-(4-cyanatophenyl)propan-2-yl]phenyl] cyanate
SYSTEMATIC NAME: [4-[(4-cyanato-3,5-dimethyl-phenyl)methyl]-2,6-dimethyl-phenyl] cyanate; [4-[2-(4-cyanatophenyl)propan-2-yl]phenyl] cyanate
MOLECULAR FORMULA: C36H32N4O4
MOLECULAR WEIGHT: 584.66368
SMILES: CC1=CC(=CC(=C1OC#N)C)CC2=CC(=C(C(=C2)C)OC#N)C.CC(C)(C1=CC=C(C=C1)OC#N)C2=CC=C(C=C2)OC#N
CAS RN: 147963-99-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H33FO5
MOLECULAR WEIGHT: 468.557023
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]4[C@]2(O[C@](O4)(C)C5=CC=C(C=C5)F)C(=O)CO)CCC6=CC(=O)CC[C@H]36
CAS RN: 85030-05-3
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; nonanedioic acid
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; nonanedioic acid
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; nonanedioic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; nonanedioic acid
MOLECULAR FORMULA: C21H46N2O10
MOLECULAR WEIGHT: 486.59734
SMILES: C(CCCC(=O)O)CCCC(=O)O.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO
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