CAS RN: 93893-51-7
CAS Name: acetic acid 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl ester
OPENEYE Name: 2-decalin-1-ylethyl acetate
IUPAC Name: 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl acetate
SYSTEMATIC NAME: 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl ethanoate
MOLECULAR FORMULA: C14H24O2
MOLECULAR WEIGHT: 224.33916
SMILES: CC(=O)OCCC1CCCC2C1CCCC2
CAS RN: 117187-51-6
CAS Name: (2Z)-2-ethylidene-5-methoxybicyclo[2.2.1]heptane
OPENEYE Name: (2Z)-2-ethylidene-5-methoxy-norbornane
IUPAC Name: (2Z)-2-ethylidene-5-methoxybicyclo[2.2.1]heptane
SYSTEMATIC NAME: (2Z)-2-ethylidene-5-methoxy-bicyclo[2.2.1]heptane
MOLECULAR FORMULA: C10H16O
MOLECULAR WEIGHT: 152.23344
SMILES: C/C=C\1/CC2CC1CC2OC
CAS RN: 71426-97-6
CAS Name: 1,1-dichloroethene; 2-propenoic acid butyl ester; 2-propenoic acid 2-ethoxyethyl ester
OPENEYE Name: butyl prop-2-enoate; 1,1-dichloroethylene; 2-ethoxyethyl prop-2-enoate
IUPAC Name: butyl prop-2-enoate; 1,1-dichloroethene; 2-ethoxyethyl prop-2-enoate
SYSTEMATIC NAME: 1,1-bis(chloranyl)ethene; butyl prop-2-enoate; 2-ethoxyethyl prop-2-enoate
MOLECULAR FORMULA: C16H26Cl2O5
MOLECULAR WEIGHT: 369.28064
SMILES: CCCCOC(=O)C=C.CCOCCOC(=O)C=C.C=C(Cl)Cl
CAS RN: 24411-12-9
CAS Name: ammonium iron(3+) tetrachloride
OPENEYE Name: ammonium ferric tetrachloride
IUPAC Name: azanium iron(3+) tetrachloride
SYSTEMATIC NAME: azanium iron(3+) tetrachloride
MOLECULAR FORMULA: Cl4FeH4N
MOLECULAR WEIGHT: 215.69546
SMILES: [NH4+].[Cl-].[Cl-].[Cl-].[Cl-].[Fe+3]
CAS RN: 85940-53-0
CAS Name: 4-chloro-2-(phenylmethyl)phenolate; ethyl-hexadecyl-dimethylammonium
OPENEYE Name: 2-benzyl-4-chloro-phenolate; ethyl-hexadecyl-dimethyl-ammonium
IUPAC Name: 2-benzyl-4-chlorophenolate; ethyl-hexadecyl-dimethylazanium
SYSTEMATIC NAME: 4-chloranyl-2-(phenylmethyl)phenolate; ethyl-hexadecyl-dimethyl-azanium
MOLECULAR FORMULA: C33H54ClNO
MOLECULAR WEIGHT: 516.24096
SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)CC.C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)[O-]
CAS RN: 167078-09-3
CAS Name: 2-(dimethylamino)-2-methyl-1-propanol; 2-propenoic acid
OPENEYE Name: acrylic acid; 2-(dimethylamino)-2-methyl-propan-1-ol
IUPAC Name: 2-(dimethylamino)-2-methylpropan-1-ol; prop-2-enoic acid
SYSTEMATIC NAME: 2-(dimethylamino)-2-methyl-propan-1-ol; prop-2-enoic acid
MOLECULAR FORMULA: C9H19NO3
MOLECULAR WEIGHT: 189.25206
SMILES: CC(C)(CO)N(C)C.C=CC(=O)O
CAS RN: 85204-18-8
CAS Name: acetic acid 1-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethyl ester
OPENEYE Name: 1-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethyl acetate
IUPAC Name: 1-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethyl acetate
SYSTEMATIC NAME: 1-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethyl ethanoate
MOLECULAR FORMULA: C13H20O2
MOLECULAR WEIGHT: 208.2967
SMILES: CC(C1C2CC(C1(C)C)C=C2)OC(=O)C
CAS RN: 72088-91-6
CAS Name: 2-chloro-2-propenoic acid tert-butyl ester; 2-chloro-2-propenoic acid ethyl ester
OPENEYE Name: tert-butyl 2-chloroprop-2-enoate; ethyl 2-chloroprop-2-enoate
IUPAC Name: tert-butyl 2-chloroprop-2-enoate; ethyl 2-chloroprop-2-enoate
SYSTEMATIC NAME: tert-butyl 2-chloranylprop-2-enoate; ethyl 2-chloranylprop-2-enoate
MOLECULAR FORMULA: C12H18Cl2O4
MOLECULAR WEIGHT: 297.17492
SMILES: CCOC(=O)C(=C)Cl.CC(C)(C)OC(=O)C(=C)Cl
CAS RN: 94022-71-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C54H40Cl2N18O26S8
MOLECULAR WEIGHT: 1684.4264
SMILES: C1=CC(=C(C=C1NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)N=NC4=C(C=C5C=C(C=C(C5=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N)Cl)S(=O)(=O)O)/C=C/C6=C(C=C(C=C6)NC7=NC(=NC(=N7)NC8=CC(=C(C=C8)N=NC9=C(C=C1C=C(C=C(C1=C9)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N)Cl)S(=O)(=O)O
CAS RN: 151085-82-4
CAS Name: potassium (3E)-3-[[4-[[[4-[(2Z)-2-(3-carboxylato-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]anilino]-oxomethyl]amino]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylate
OPENEYE Name: potassium (3E)-3-[[4-[[4-[(2Z)-2-(3-carboxylato-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]phenyl]carbamoylamino]phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylate
IUPAC Name: potassium (3E)-3-[[4-[[4-[(2Z)-2-(3-carboxylato-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]carbamoylamino]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate
SYSTEMATIC NAME: potassium (3E)-3-[[4-[[4-[(2Z)-2-(3-carboxylato-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]carbamoylamino]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate
MOLECULAR FORMULA: C27H18KN6O7-
MOLECULAR WEIGHT: 577.56612
SMILES: C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)N/N=C\3/C=CC(=O)C(=C3)C(=O)[O-])N/N=C/4\C=CC(=O)C(=C4)C(=O)[O-].[K+]
CAS RN: 74559-56-1
CAS Name: butane-1,1-diol; 2-methyl-2-propenoic acid
OPENEYE Name: butane-1,1-diol; 2-methylprop-2-enoic acid
IUPAC Name: butane-1,1-diol; 2-methylprop-2-enoic acid
SYSTEMATIC NAME: butane-1,1-diol; 2-methylprop-2-enoic acid
MOLECULAR FORMULA: C8H16O4
MOLECULAR WEIGHT: 176.21024
SMILES: CCCC(O)O.CC(=C)C(=O)O
CAS RN: 94279-10-4
CAS Name: 8-methylnonanoic acid [3-hydroxy-2-(4-methylphenyl)sulfonyloxypropyl] ester
OPENEYE Name: [3-hydroxy-2-(p-tolylsulfonyloxy)propyl] 8-methylnonanoate
IUPAC Name: [3-hydroxy-2-(4-methylphenyl)sulfonyloxypropyl] 8-methylnonanoate
SYSTEMATIC NAME: [2-(4-methylphenyl)sulfonyloxy-3-oxidanyl-propyl] 8-methylnonanoate
MOLECULAR FORMULA: C20H32O6S
MOLECULAR WEIGHT: 400.52948
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC(CO)COC(=O)CCCCCCC(C)C
CAS RN: 93981-73-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H24ClN3O6
MOLECULAR WEIGHT: 702.10946
SMILES: C1C=CC2=C(C1=O)CC3=C4C(=CC(=O)C3=C2)C5=CC(=O)C6C(=C5N4Cl)C=C7CC=C8C(=C7N6)C(=O)C9=C(C8=O)C(=CC=C9)NC(=O)C1=CC=CC=C1
CAS RN: 72987-50-9
CAS Name: 6-[3-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropyl]-1,3,5-triazine-2,4-diamine; formaldehyde
OPENEYE Name: 6-[3-(4,6-diamino-1,3,5-triazin-2-yl)-2-methyl-propyl]-1,3,5-triazine-2,4-diamine; formaldehyde
IUPAC Name: 6-[3-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropyl]-1,3,5-triazine-2,4-diamine; formaldehyde
SYSTEMATIC NAME: 6-[3-[4,6-bis(azanyl)-1,3,5-triazin-2-yl]-2-methyl-propyl]-1,3,5-triazine-2,4-diamine; methanal
MOLECULAR FORMULA: C11H18N10O
MOLECULAR WEIGHT: 306.32702
SMILES: CC(CC1=NC(=NC(=N1)N)N)CC2=NC(=NC(=N2)N)N.C=O
CAS RN: 93857-39-7
CAS Name: benzenesulfonic acid; 2-(dimethylamino)ethanol
OPENEYE Name: benzenesulfonic acid; 2-(dimethylamino)ethanol
IUPAC Name: benzenesulfonic acid; 2-(dimethylamino)ethanol
SYSTEMATIC NAME: benzenesulfonic acid; 2-(dimethylamino)ethanol
MOLECULAR FORMULA: C10H17NO4S
MOLECULAR WEIGHT: 247.31128
SMILES: CN(C)CCO.C1=CC=C(C=C1)S(=O)(=O)O
CAS RN: 132435-10-0
CAS Name: 2-(2-hydroxyethoxy)ethanol; 2-methyloxirane
OPENEYE Name: 2-(2-hydroxyethoxy)ethanol; 2-methyloxirane
IUPAC Name: 2-(2-hydroxyethoxy)ethanol; 2-methyloxirane
SYSTEMATIC NAME: 2-(2-hydroxyethyloxy)ethanol; 2-methyloxirane
MOLECULAR FORMULA: C7H16O4
MOLECULAR WEIGHT: 164.19954
SMILES: CC1CO1.C(COCCO)O
CAS RN: 71215-93-5
CAS Name: sodium 3-(ethoxycarbonylamino)benzenesulfonate
OPENEYE Name: sodium 3-(ethoxycarbonylamino)benzenesulfonate
IUPAC Name: sodium 3-(ethoxycarbonylamino)benzenesulfonate
SYSTEMATIC NAME: sodium 3-(ethoxycarbonylamino)benzenesulfonate
MOLECULAR FORMULA: C9H10NNaO5S
MOLECULAR WEIGHT: 267.23417
SMILES: CCOC(=O)NC1=CC(=CC=C1)S(=O)(=O)[O-].[Na+]
CAS RN: 93843-22-2
CAS Name: 17-methyloctadecanal
OPENEYE Name: 17-methyloctadecanal
IUPAC Name: 17-methyloctadecanal
SYSTEMATIC NAME: 17-methyloctadecanal
MOLECULAR FORMULA: C19H38O
MOLECULAR WEIGHT: 282.50442
SMILES: CC(C)CCCCCCCCCCCCCCCC=O
CAS RN: 12043-90-2
CAS Name: decaaluminum; lanthanum(3+); oxygen(2-)
OPENEYE Name: decaaluminum; lanthanum(3+); oxygen(2-)
IUPAC Name: decaaluminum; lanthanum(3+); oxygen(2-)
SYSTEMATIC NAME: decaaluminum; lanthanum(3+); oxygen(2-)
MOLECULAR FORMULA: Al10LaO18-3
MOLECULAR WEIGHT: 696.71008
SMILES: [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[La+3]
CAS RN: 93803-32-8
CAS Name: trisodium 4-[(2Z)-2-[8-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-1-oxo-3,6-disulfonato-2-naphthalenylidene]hydrazinyl]benzoate
OPENEYE Name: trisodium 4-[(2Z)-2-[8-[3-(benzenesulfonyl)propanoylamino]-1-oxo-3,6-disulfonato-2-naphthylidene]hydrazino]benzoate
IUPAC Name: trisodium 4-[(2Z)-2-[8-[3-(benzenesulfonyl)propanoylamino]-1-oxo-3,6-disulfonatonaphthalen-2-ylidene]hydrazinyl]benzoate
SYSTEMATIC NAME: trisodium 4-[(2Z)-2-[1-oxidanylidene-8-[3-(phenylsulfonyl)propanoylamino]-3,6-disulfonato-naphthalen-2-ylidene]hydrazinyl]benzoate
MOLECULAR FORMULA: C26H18N3Na3O12S3
MOLECULAR WEIGHT: 729.59833
SMILES: C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(/C(=N\NC4=CC=C(C=C4)C(=O)[O-])/C3=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
CAS RN: 13108-53-7
CAS Name: 2,3,5,6-tetrachloro-4-ethylsulfonylpyridine
OPENEYE Name: 2,3,5,6-tetrachloro-4-ethylsulfonyl-pyridine
IUPAC Name: 2,3,5,6-tetrachloro-4-ethylsulfonylpyridine
SYSTEMATIC NAME: 2,3,5,6-tetrakis(chloranyl)-4-ethylsulfonyl-pyridine
MOLECULAR FORMULA: C7H5Cl4NO2S
MOLECULAR WEIGHT: 308.9971
SMILES: CCS(=O)(=O)C1=C(C(=NC(=C1Cl)Cl)Cl)Cl
CAS RN: 84029-91-4
CAS Name: 6-methoxy-2,2,6,9-tetramethylbicyclo[3.3.1]nonane
OPENEYE Name: 6-methoxy-2,2,6,9-tetramethyl-bicyclo[3.3.1]nonane
IUPAC Name: 6-methoxy-2,2,6,9-tetramethylbicyclo[3.3.1]nonane
SYSTEMATIC NAME: 6-methoxy-2,2,6,9-tetramethyl-bicyclo[3.3.1]nonane
MOLECULAR FORMULA: C14H26O
MOLECULAR WEIGHT: 210.35564
SMILES: CC1C2CCC(C1CCC2(C)C)(C)OC
CAS RN: 14047-57-5
CAS Name: sodium 10-hydroxy-10-oxodecanoate
OPENEYE Name: sodium 10-hydroxy-10-oxo-decanoate
IUPAC Name: sodium 10-hydroxy-10-oxodecanoate
SYSTEMATIC NAME: sodium 10-oxidanyl-10-oxidanylidene-decanoate
MOLECULAR FORMULA: C10H17NaO4
MOLECULAR WEIGHT: 224.22935
SMILES: C(CCCCC(=O)[O-])CCCC(=O)O.[Na+]
CAS RN: 85030-34-8
CAS Name: 1-[butyl-[3-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-1-pyridin-1-iumyl]-2-hydroxypropyl]amino]-3-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-1-pyridin-1-iumyl]-2-propanol dichloride
OPENEYE Name: 1-[butyl-[3-[4-[(E)-2-[4-(diethylamino)phenyl]vinyl]pyridin-1-ium-1-yl]-2-hydroxy-propyl]amino]-3-[4-[(E)-2-[4-(diethylamino)phenyl]vinyl]pyridin-1-ium-1-yl]propan-2-ol dichloride
IUPAC Name: 1-[butyl-[3-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]-2-hydroxypropyl]amino]-3-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propan-2-ol dichloride
SYSTEMATIC NAME: 1-[butyl-[3-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]-2-oxidanyl-propyl]amino]-3-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propan-2-ol dichloride
MOLECULAR FORMULA: C44H61Cl2N5O2
MOLECULAR WEIGHT: 762.89344
SMILES: CCCCN(CC(O)C[N+]1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)N(CC)CC)CC(O)C[N+]3=CC=C(C=C3)/C=C/C4=CC=C(C=C4)N(CC)CC.[Cl-].[Cl-]
CAS RN: 15684-00-1
CAS Name: methanone; rhenium
OPENEYE Name: methanone; rhenium
IUPAC Name: methanone; rhenium
SYSTEMATIC NAME: methanone; rhenium
MOLECULAR FORMULA: C5H5O5Re-5
MOLECULAR WEIGHT: 331.2972
SMILES: [CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Re]
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