CAS RN: 21378-19-8
CAS Name: 4-ethenyl-4-oxanol
OPENEYE Name: 4-vinyltetrahydropyran-4-ol
IUPAC Name: 4-ethenyloxan-4-ol
SYSTEMATIC NAME: 4-ethenyloxan-4-ol
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: C=CC1(CCOCC1)O
Structure:
CAS RN: 80043-96-5
CAS Name: 3,4-dibromo-3,4-dimethylthiolane 1,1-dioxide
OPENEYE Name: 3,4-dibromo-3,4-dimethyl-thiolane 1,1-dioxide
IUPAC Name: 3,4-dibromo-3,4-dimethylthiolane 1,1-dioxide
SYSTEMATIC NAME: 3,4-bis(bromanyl)-3,4-dimethyl-thiolane 1,1-dioxide
MOLECULAR FORMULA: C6H10Br2O2S
MOLECULAR WEIGHT: 306.0154
SMILES: CC1(CS(=O)(=O)CC1(C)Br)Br
Structure:
CAS RN: 73455-13-7
CAS Name: 4,5-dichloro-2-pyridinecarboxylic acid
OPENEYE Name: 4,5-dichloropyridine-2-carboxylic acid
IUPAC Name: 4,5-dichloropyridine-2-carboxylic acid
SYSTEMATIC NAME: 4,5-bis(chloranyl)pyridine-2-carboxylic acid
MOLECULAR FORMULA: C6H3Cl2NO2
MOLECULAR WEIGHT: 191.99952
SMILES: C1=C(C(=CN=C1C(=O)O)Cl)Cl
Structure:
CAS RN: 53663-23-3
CAS Name: 1,2,3-triiodo-5-nitrobenzene
OPENEYE Name: 1,2,3-triiodo-5-nitro-benzene
IUPAC Name: 1,2,3-triiodo-5-nitrobenzene
SYSTEMATIC NAME: 1,2,3-tris(iodanyl)-5-nitro-benzene
MOLECULAR FORMULA: C6H2I3NO2
MOLECULAR WEIGHT: 500.79899
SMILES: C1=C(C=C(C(=C1I)I)I)[N+](=O)[O-]
Structure:
CAS RN: 78134-99-3
CAS Name: 2,2-bis(methylsulfonyl)acetic acid ethyl ester
OPENEYE Name: ethyl 2,2-bis(methylsulfonyl)acetate
IUPAC Name: ethyl 2,2-bis(methylsulfonyl)acetate
SYSTEMATIC NAME: ethyl 2,2-bis(methylsulfonyl)ethanoate
MOLECULAR FORMULA: C6H12O6S2
MOLECULAR WEIGHT: 244.28588
SMILES: CCOC(=O)C(S(=O)(=O)C)S(=O)(=O)C
Structure:
CAS RN: 51564-94-4
CAS Name: 6-methoxy-4-methyl-2-pyridinamine
OPENEYE Name: 6-methoxy-4-methyl-pyridin-2-amine
IUPAC Name: 6-methoxy-4-methylpyridin-2-amine
SYSTEMATIC NAME: 6-methoxy-4-methyl-pyridin-2-amine
MOLECULAR FORMULA: C7H10N2O
MOLECULAR WEIGHT: 138.1671
SMILES: CC1=CC(=NC(=C1)OC)N
Structure:
CAS RN: 89534-40-7
CAS Name: 3-(ethylthio)butanoic acid
OPENEYE Name: 3-ethylsulfanylbutanoic acid
IUPAC Name: 3-ethylsulfanylbutanoic acid
SYSTEMATIC NAME: 3-ethylsulfanylbutanoic acid
MOLECULAR FORMULA: C6H12O2S
MOLECULAR WEIGHT: 148.22328
SMILES: CCSC(C)CC(=O)O
Structure:
CAS RN: 18214-56-7
CAS Name: 3,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide
OPENEYE Name: 3,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide
IUPAC Name: 3,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide
SYSTEMATIC NAME: 3,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide
MOLECULAR FORMULA: C6H10O2S
MOLECULAR WEIGHT: 146.2074
SMILES: CC1=C(CS(=O)(=O)C1)C
Structure:
CAS RN: 32341-85-8
CAS Name: 1,1-bis(ethylsulfonyl)ethane
OPENEYE Name: 1,1-bis(ethylsulfonyl)ethane
IUPAC Name: 1,1-bis(ethylsulfonyl)ethane
SYSTEMATIC NAME: 1,1-bis(ethylsulfonyl)ethane
MOLECULAR FORMULA: C6H14O4S2
MOLECULAR WEIGHT: 214.30296
SMILES: CCS(=O)(=O)C(C)S(=O)(=O)CC
Structure:
CAS RN: 24888-93-5
CAS Name: 6-methyl-2-(methylthio)-4-pyrimidinamine
OPENEYE Name: 6-methyl-2-methylsulfanyl-pyrimidin-4-amine
IUPAC Name: 6-methyl-2-methylsulfanylpyrimidin-4-amine
SYSTEMATIC NAME: 6-methyl-2-methylsulfanyl-pyrimidin-4-amine
MOLECULAR FORMULA: C6H9N3S
MOLECULAR WEIGHT: 155.22076
SMILES: CC1=CC(=NC(=N1)SC)N
Structure:
CAS RN: 61713-72-2
CAS Name: propane-1,1,2-tricarboxylic acid
OPENEYE Name: propane-1,1,2-tricarboxylic acid
IUPAC Name: propane-1,1,2-tricarboxylic acid
SYSTEMATIC NAME: propane-1,1,2-tricarboxylic acid
MOLECULAR FORMULA: C6H8O6
MOLECULAR WEIGHT: 176.12412
SMILES: CC(C(C(=O)O)C(=O)O)C(=O)O
Structure:
CAS RN: 27843-27-2
CAS Name: 2-chloro-3,3-dimethyl-1-butene
OPENEYE Name: 2-chloro-3,3-dimethyl-but-1-ene
IUPAC Name: 2-chloro-3,3-dimethylbut-1-ene
SYSTEMATIC NAME: 2-chloranyl-3,3-dimethyl-but-1-ene
MOLECULAR FORMULA: C6H11Cl
MOLECULAR WEIGHT: 118.60454
SMILES: CC(C)(C)C(=C)Cl
Structure:
CAS RN: 921-08-4
CAS Name: 2-chloro-3-methylbutanoic acid
OPENEYE Name: 2-chloro-3-methyl-butanoic acid
IUPAC Name: 2-chloro-3-methylbutanoic acid
SYSTEMATIC NAME: 2-chloranyl-3-methyl-butanoic acid
MOLECULAR FORMULA: C5H9ClO2
MOLECULAR WEIGHT: 136.57676
SMILES: CC(C)C(C(=O)O)Cl
Structure:
CAS RN: 922-84-9
CAS Name: ethane-1,1,2-tricarboxylic acid
OPENEYE Name: ethane-1,1,2-tricarboxylic acid
IUPAC Name: ethane-1,1,2-tricarboxylic acid
SYSTEMATIC NAME: ethane-1,1,2-tricarboxylic acid
MOLECULAR FORMULA: C5H6O6
MOLECULAR WEIGHT: 162.09754
SMILES: C(C(C(=O)O)C(=O)O)C(=O)O
Structure:
CAS RN: 66688-49-1
CAS Name: 1,3-diiodo-2,2-dimethylpropane
OPENEYE Name: 1,3-diiodo-2,2-dimethyl-propane
IUPAC Name: 1,3-diiodo-2,2-dimethylpropane
SYSTEMATIC NAME: 1,3-bis(iodanyl)-2,2-dimethyl-propane
MOLECULAR FORMULA: C5H10I2
MOLECULAR WEIGHT: 323.94184
SMILES: CC(C)(CI)CI
Structure:
CAS RN: 6543-74-4
CAS Name: bis(methylsulfonyl)-(methylthio)methane
OPENEYE Name: methylsulfanyl-bis(methylsulfonyl)methane
IUPAC Name: methylsulfanyl-bis(methylsulfonyl)methane
SYSTEMATIC NAME: methylsulfanyl-bis(methylsulfonyl)methane
MOLECULAR FORMULA: C4H10O4S3
MOLECULAR WEIGHT: 218.3148
SMILES: CSC(S(=O)(=O)C)S(=O)(=O)C
Structure:
CAS RN: 42347-29-5
CAS Name: 2-methyl-1,3-dithiolane 1,1,3,3-tetraoxide
OPENEYE Name: 2-methyl-1,3-dithiolane 1,1,3,3-tetraoxide
IUPAC Name: 2-methyl-1,3-dithiolane 1,1,3,3-tetraoxide
SYSTEMATIC NAME: 2-methyl-1,3-dithiolane 1,1,3,3-tetraoxide
MOLECULAR FORMULA: C4H8O4S2
MOLECULAR WEIGHT: 184.23392
SMILES: CC1S(=O)(=O)CCS1(=O)=O
Structure:
CAS RN: 4734-51-4
CAS Name: selenocyanic acid 2-selenocyanatoethyl ester
OPENEYE Name: 2-selenocyanatoethyl selenocyanate
IUPAC Name: 2-selenocyanatoethyl selenocyanate
SYSTEMATIC NAME: 2-selenocyanatoethyl selenocyanate
MOLECULAR FORMULA: C4H4N2Se2
MOLECULAR WEIGHT: 238.00796
SMILES: C(C[Se]C#N)[Se]C#N
Structure:
CAS RN: 6228-62-2
CAS Name: 2-(carboxymethylseleno)acetic acid
OPENEYE Name: 2-(carboxymethylselanyl)acetic acid
IUPAC Name: 2-(carboxymethylselanyl)acetic acid
SYSTEMATIC NAME: 2-(2-hydroxy-2-oxoethylselanyl)ethanoic acid
MOLECULAR FORMULA: C4H6O4Se
MOLECULAR WEIGHT: 197.04804
SMILES: C(C(=O)O)[Se]CC(=O)O
Structure:
CAS RN: 41879-99-6
CAS Name: ethanebis(thioic acid) S1,S2-dimethyl ester
OPENEYE Name: S1,S2-dimethyl ethanebis(thioate)
IUPAC Name: 1-S,2-S-dimethyl ethanebis(thioate)
SYSTEMATIC NAME: S1,S2-dimethyl ethanebis(thioate)
MOLECULAR FORMULA: C4H6O2S2
MOLECULAR WEIGHT: 150.21924
SMILES: CSC(=O)C(=O)SC
Structure:
CAS RN: 22439-23-2
CAS Name: dibromo-bis(methylsulfonyl)methane
OPENEYE Name: dibromo-bis(methylsulfonyl)methane
IUPAC Name: dibromo-bis(methylsulfonyl)methane
SYSTEMATIC NAME: bis(bromanyl)-bis(methylsulfonyl)methane
MOLECULAR FORMULA: C3H6Br2O4S2
MOLECULAR WEIGHT: 330.01534
SMILES: CS(=O)(=O)C(S(=O)(=O)C)(Br)Br
Structure:
CAS RN: 26413-19-4
CAS Name: 1,3-dithiolane 1,1,3,3-tetraoxide
OPENEYE Name: 1,3-dithiolane 1,1,3,3-tetraoxide
IUPAC Name: 1,3-dithiolane 1,1,3,3-tetraoxide
SYSTEMATIC NAME: 1,3-dithiolane 1,1,3,3-tetraoxide
MOLECULAR FORMULA: C3H6O4S2
MOLECULAR WEIGHT: 170.20734
SMILES: C1CS(=O)(=O)CS1(=O)=O
Structure:
CAS RN: 34461-00-2
CAS Name: 2-nitropropanedial
OPENEYE Name: 2-nitropropanedial
IUPAC Name: 2-nitropropanedial
SYSTEMATIC NAME: 2-nitropropanedial
MOLECULAR FORMULA: C3H3NO4
MOLECULAR WEIGHT: 117.06022
SMILES: C(=O)C(C=O)[N+](=O)[O-]
Structure:
CAS RN: 609-32-5
CAS Name: 2-nitropropanedial
OPENEYE Name: 2-nitropropanedial
IUPAC Name: 2-nitropropanedial
SYSTEMATIC NAME: 2-nitropropanedial
MOLECULAR FORMULA: C3H3NO4
MOLECULAR WEIGHT: 117.06022
SMILES: C(=O)C(C=O)[N+](=O)[O-]
Structure:
CAS RN: 868-84-8
CAS Name: bis(methylthio)methanone
OPENEYE Name: bis(methylsulfanyl)methanone
IUPAC Name: bis(methylsulfanyl)methanone
SYSTEMATIC NAME: bis(methylsulfanyl)methanone
MOLECULAR FORMULA: C3H6OS2
MOLECULAR WEIGHT: 122.20914
SMILES: CSC(=O)SC
Structure:
CAS RN: 57109-83-8
CAS Name: 2-methyl-N-[2-(2-nitrophenyl)sulfonyl-3-phenylprop-2-enyl]-2-propanamine
OPENEYE Name: 2-methyl-N-[2-(2-nitrophenyl)sulfonyl-3-phenyl-allyl]propan-2-amine
IUPAC Name: 2-methyl-N-[2-(2-nitrophenyl)sulfonyl-3-phenylprop-2-enyl]propan-2-amine
SYSTEMATIC NAME: 2-methyl-N-[2-(2-nitrophenyl)sulfonyl-3-phenyl-prop-2-enyl]propan-2-amine
MOLECULAR FORMULA: C19H22N2O4S
MOLECULAR WEIGHT: 374.45398
SMILES: CC(C)(C)NCC(=CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]
Structure:
CAS RN: 59614-96-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H11NO
MOLECULAR WEIGHT: 197.23254
SMILES: C1CC(=O)NC2=CC=CC3=C2C1=CC=C3
Structure:
CAS RN: 62202-78-2
CAS Name: 3,11-dithia-17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene
OPENEYE Name: 3,11-dithia-17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene
IUPAC Name: 3,11-dithia-17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene
SYSTEMATIC NAME: 3,11-dithia-17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene
MOLECULAR FORMULA: C14H21NS2
MOLECULAR WEIGHT: 267.45324
SMILES: C1CCCSCC2=NC(=CC=C2)CSCCC1
Structure:
CAS RN: 62202-79-3
CAS Name: 3,12-dithia-18-azabicyclo[12.3.1]octadeca-1(18),14,16-triene
OPENEYE Name: 3,12-dithia-18-azabicyclo[12.3.1]octadeca-1(18),14,16-triene
IUPAC Name: 3,12-dithia-18-azabicyclo[12.3.1]octadeca-1(18),14,16-triene
SYSTEMATIC NAME: 3,12-dithia-18-azabicyclo[12.3.1]octadeca-1(18),14,16-triene
MOLECULAR FORMULA: C15H23NS2
MOLECULAR WEIGHT: 281.47982
SMILES: C1CCCCSCC2=CC=CC(=N2)CSCCC1
Structure:
CAS RN: 62202-77-1
CAS Name: 3,10-dithia-16-azabicyclo[10.3.1]hexadeca-1(16),12,14-triene
OPENEYE Name: 3,10-dithia-16-azabicyclo[10.3.1]hexadeca-1(16),12,14-triene
IUPAC Name: 3,10-dithia-16-azabicyclo[10.3.1]hexadeca-1(16),12,14-triene
SYSTEMATIC NAME: 3,10-dithia-16-azabicyclo[10.3.1]hexadeca-1(16),12,14-triene
MOLECULAR FORMULA: C13H19NS2
MOLECULAR WEIGHT: 253.42666
SMILES: C1CCCSCC2=CC=CC(=N2)CSCC1
Structure:
CAS RN: 42544-37-6
CAS Name: 2-methyl-1-phenylguanidine
OPENEYE Name: 2-methyl-1-phenyl-guanidine
IUPAC Name: 2-methyl-1-phenylguanidine
SYSTEMATIC NAME: 2-methyl-1-phenyl-guanidine
MOLECULAR FORMULA: C8H11N3
MOLECULAR WEIGHT: 149.19304
SMILES: CN=C(N)NC1=CC=CC=C1
Structure:
CAS RN: 2498-49-9
CAS Name: 2-phenylguanidine; sulfuric acid
OPENEYE Name: 2-phenylguanidine; sulfuric acid
IUPAC Name: 2-phenylguanidine; sulfuric acid
SYSTEMATIC NAME: 2-phenylguanidine; sulfuric acid
MOLECULAR FORMULA: C7H11N3O4S
MOLECULAR WEIGHT: 233.24494
SMILES: C1=CC=C(C=C1)N=C(N)N.OS(=O)(=O)O
Structure:
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