CAS RN: 634-55-9
CAS Name: 2-cyano-3-oxobutanoic acid ethyl ester
OPENEYE Name: ethyl 2-cyano-3-oxo-butanoate
IUPAC Name: ethyl 2-cyano-3-oxobutanoate
SYSTEMATIC NAME: ethyl 2-cyano-3-oxidanylidene-butanoate
MOLECULAR FORMULA: C7H9NO3
MOLECULAR WEIGHT: 155.15126
SMILES: CCOC(=O)C(C#N)C(=O)C
Structure:
CAS RN: 632-50-8
CAS Name: 1,2,2-triphenylethylbenzene
OPENEYE Name: 1,2,2-triphenylethylbenzene
IUPAC Name: 1,2,2-triphenylethylbenzene
SYSTEMATIC NAME: 1,2,2-triphenylethylbenzene
MOLECULAR FORMULA: C26H22
MOLECULAR WEIGHT: 334.45288
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 630-51-3
CAS Name: 2,2,3,3-tetramethylbutanedioic acid
OPENEYE Name: 2,2,3,3-tetramethylbutanedioic acid
IUPAC Name: 2,2,3,3-tetramethylbutanedioic acid
SYSTEMATIC NAME: 2,2,3,3-tetramethylbutanedioic acid
MOLECULAR FORMULA: C8H14O4
MOLECULAR WEIGHT: 174.19436
SMILES: CC(C)(C(=O)O)C(C)(C)C(=O)O
Structure:
CAS RN: 629-49-2
CAS Name: 2-dodecyne
OPENEYE Name: dodec-2-yne
IUPAC Name: dodec-2-yne
SYSTEMATIC NAME: dodec-2-yne
MOLECULAR FORMULA: C12H22
MOLECULAR WEIGHT: 166.30308
SMILES: CCCCCCCCCC#CC
Structure:
CAS RN: 629-37-8
CAS Name: 1-nitrooctane
OPENEYE Name: 1-nitrooctane
IUPAC Name: 1-nitrooctane
SYSTEMATIC NAME: 1-nitrooctane
MOLECULAR FORMULA: C8H17NO2
MOLECULAR WEIGHT: 159.22608
SMILES: CCCCCCCC[N+](=O)[O-]
Structure:
CAS RN: 31357-24-1
CAS Name: hepta-2,4-diene
OPENEYE Name: hepta-2,4-diene
IUPAC Name: hepta-2,4-diene
SYSTEMATIC NAME: hepta-2,4-diene
MOLECULAR FORMULA: C7H12
MOLECULAR WEIGHT: 96.17018
SMILES: CCC=CC=CC
Structure:
CAS RN: 628-62-6
CAS Name: heptanamide
OPENEYE Name: heptanamide
IUPAC Name: heptanamide
SYSTEMATIC NAME: heptanamide
MOLECULAR FORMULA: C7H15NO
MOLECULAR WEIGHT: 129.2001
SMILES: CCCCCCC(=O)N
Structure:
CAS RN: 628-56-8
CAS Name: 2-methyl-3-(2-methylprop-2-enoxy)-1-propene
OPENEYE Name: 2-methyl-3-(2-methylallyloxy)prop-1-ene
IUPAC Name: 2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene
SYSTEMATIC NAME: 2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene
MOLECULAR FORMULA: C8H14O
MOLECULAR WEIGHT: 126.19616
SMILES: CC(=C)COCC(=C)C
Structure:
CAS RN: 627-52-1
CAS Name: thiocyanic acid cyano ester
OPENEYE Name: cyano thiocyanate
IUPAC Name: cyano thiocyanate
SYSTEMATIC NAME: cyano thiocyanate
MOLECULAR FORMULA: C2N2S
MOLECULAR WEIGHT: 84.0998
SMILES: C(#N)SC#N
Structure:
CAS RN: 627-07-6
CAS Name: N-propylnitramide
OPENEYE Name: N-propylnitramide
IUPAC Name: N-propylnitramide
SYSTEMATIC NAME: N-propylnitramide
MOLECULAR FORMULA: C3H8N2O2
MOLECULAR WEIGHT: 104.10782
SMILES: CCCN[N+](=O)[O-]
Structure:
CAS RN: 626-91-5
CAS Name: 1-methoxy-3-methylbutane
OPENEYE Name: 1-methoxy-3-methyl-butane
IUPAC Name: 1-methoxy-3-methylbutane
SYSTEMATIC NAME: 1-methoxy-3-methyl-butane
MOLECULAR FORMULA: C6H14O
MOLECULAR WEIGHT: 102.17476
SMILES: CC(C)CCOC
Structure:
CAS RN: 626-68-6
CAS Name: 2-methyl-1,3-dioxane
OPENEYE Name: 2-methyl-1,3-dioxane
IUPAC Name: 2-methyl-1,3-dioxane
SYSTEMATIC NAME: 2-methyl-1,3-dioxane
MOLECULAR FORMULA: C5H10O2
MOLECULAR WEIGHT: 102.1317
SMILES: CC1OCCCO1
Structure:
CAS RN: 625-66-1
CAS Name: 1,1-dichloro-3-methylbutane
OPENEYE Name: 1,1-dichloro-3-methyl-butane
IUPAC Name: 1,1-dichloro-3-methylbutane
SYSTEMATIC NAME: 1,1-bis(chloranyl)-3-methyl-butane
MOLECULAR FORMULA: C5H10Cl2
MOLECULAR WEIGHT: 141.0389
SMILES: CC(C)CC(Cl)Cl
Structure:
CAS RN: 625-47-8
CAS Name: 1-chloro-2-nitroethane
OPENEYE Name: 1-chloro-2-nitro-ethane
IUPAC Name: 1-chloro-2-nitroethane
SYSTEMATIC NAME: 1-chloranyl-2-nitro-ethane
MOLECULAR FORMULA: C2H4ClNO2
MOLECULAR WEIGHT: 109.51166
SMILES: C(CCl)[N+](=O)[O-]
Structure:
CAS RN: 625-46-7
CAS Name: 3-nitro-1-propene
OPENEYE Name: 3-nitroprop-1-ene
IUPAC Name: 3-nitroprop-1-ene
SYSTEMATIC NAME: 3-nitroprop-1-ene
MOLECULAR FORMULA: C3H5NO2
MOLECULAR WEIGHT: 87.0773
SMILES: C=CC[N+](=O)[O-]
Structure:
CAS RN: 624-97-5
CAS Name: 2-methyl-4-penten-2-ol
OPENEYE Name: 2-methylpent-4-en-2-ol
IUPAC Name: 2-methylpent-4-en-2-ol
SYSTEMATIC NAME: 2-methylpent-4-en-2-ol
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 100.15888
SMILES: CC(C)(CC=C)O
Structure:
CAS RN: 624-85-1
CAS Name: hypochlorous acid ethyl ester
OPENEYE Name: ethyl hypochlorite
IUPAC Name: ethyl hypochlorite
SYSTEMATIC NAME: ethyl hypochlorite
MOLECULAR FORMULA: C2H5ClO
MOLECULAR WEIGHT: 80.5135
SMILES: CCOCl
Structure:
CAS RN: 624-70-4
CAS Name: 1-chloro-2-iodoethane
OPENEYE Name: 1-chloro-2-iodo-ethane
IUPAC Name: 1-chloro-2-iodoethane
SYSTEMATIC NAME: 1-chloranyl-2-iodanyl-ethane
MOLECULAR FORMULA: C2H4ClI
MOLECULAR WEIGHT: 190.41063
SMILES: C(CI)Cl
Structure:
CAS RN: 624-66-8
CAS Name: 1-iodo-1-propyne
OPENEYE Name: 1-iodoprop-1-yne
IUPAC Name: 1-iodoprop-1-yne
SYSTEMATIC NAME: 1-iodanylprop-1-yne
MOLECULAR FORMULA: C3H3I
MOLECULAR WEIGHT: 165.96039
SMILES: CC#CI
Structure:
CAS RN: 624-40-8
CAS Name: 1,2,4,5-tetrazinane-3,6-dione
OPENEYE Name: 1,2,4,5-tetrazinane-3,6-dione
IUPAC Name: 1,2,4,5-tetrazinane-3,6-dione
SYSTEMATIC NAME: 1,2,4,5-tetrazinane-3,6-dione
MOLECULAR FORMULA: C2H4N4O2
MOLECULAR WEIGHT: 116.07876
SMILES: C1(=O)NNC(=O)NN1
Structure:
CAS RN: 624-08-8
CAS Name: 9-heptadecanol
OPENEYE Name: heptadecan-9-ol
IUPAC Name: heptadecan-9-ol
SYSTEMATIC NAME: heptadecan-9-ol
MOLECULAR FORMULA: C17H36O
MOLECULAR WEIGHT: 256.46714
SMILES: CCCCCCCCC(CCCCCCCC)O
Structure:
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