CAS RN: 6970-28-1
CAS Name: (2R)-2,4-diaminobutanoic acid
OPENEYE Name: (2R)-2,4-diaminobutanoic acid
IUPAC Name: (2R)-2,4-diaminobutanoic acid
SYSTEMATIC NAME: (2R)-2,4-bis(azanyl)butanoic acid
MOLECULAR FORMULA: C4H10N2O2
MOLECULAR WEIGHT: 118.1344
SMILES: C(CN)[C@H](C(=O)O)N
Structure:
CAS RN: 623-91-6
CAS Name: (E)-2-butenedioic acid diethyl ester
OPENEYE Name: diethyl (E)-but-2-enedioate
IUPAC Name: diethyl (E)-but-2-enedioate
SYSTEMATIC NAME: diethyl (E)-but-2-enedioate
MOLECULAR FORMULA: C8H12O4
MOLECULAR WEIGHT: 172.17848
SMILES: CCOC(=O)/C=C/C(=O)OCC
Structure:
CAS RN: 623-43-8
CAS Name: (E)-2-butenoic acid methyl ester
OPENEYE Name: methyl (E)-but-2-enoate
IUPAC Name: methyl (E)-but-2-enoate
SYSTEMATIC NAME: methyl (E)-but-2-enoate
MOLECULAR FORMULA: C5H8O2
MOLECULAR WEIGHT: 100.11582
SMILES: C/C=C/C(=O)OC
Structure:
CAS RN: 18707-60-3
CAS Name: (E)-2-butenoic acid methyl ester
OPENEYE Name: methyl (E)-but-2-enoate
IUPAC Name: methyl (E)-but-2-enoate
SYSTEMATIC NAME: methyl (E)-but-2-enoate
MOLECULAR FORMULA: C5H8O2
MOLECULAR WEIGHT: 100.11582
SMILES: C/C=C/C(=O)OC
Structure:
CAS RN: 18621-75-5
CAS Name: acetic acid [(E)-4-acetyloxybut-2-enyl] ester
OPENEYE Name: [(E)-4-acetoxybut-2-enyl] acetate
IUPAC Name: [(E)-4-acetyloxybut-2-enyl] acetate
SYSTEMATIC NAME: [(E)-4-acetyloxybut-2-enyl] ethanoate
MOLECULAR FORMULA: C8H12O4
MOLECULAR WEIGHT: 172.17848
SMILES: CC(=O)OC/C=C/COC(=O)C
Structure:
CAS RN: 498-24-8
CAS Name: (E)-2-methyl-2-butenedioic acid
OPENEYE Name: (E)-2-methylbut-2-enedioic acid
IUPAC Name: (E)-2-methylbut-2-enedioic acid
SYSTEMATIC NAME: (E)-2-methylbut-2-enedioic acid
MOLECULAR FORMULA: C5H6O4
MOLECULAR WEIGHT: 130.09874
SMILES: C/C(=C\C(=O)O)/C(=O)O
Structure:
CAS RN: 498-23-7
CAS Name: (E)-2-methyl-2-butenedioic acid
OPENEYE Name: (E)-2-methylbut-2-enedioic acid
IUPAC Name: (E)-2-methylbut-2-enedioic acid
SYSTEMATIC NAME: (E)-2-methylbut-2-enedioic acid
MOLECULAR FORMULA: C5H6O4
MOLECULAR WEIGHT: 130.09874
SMILES: C/C(=C\C(=O)O)/C(=O)O
Structure:
CAS RN: 43180-81-0
CAS Name: (E)-2,3-dichloro-2-butenedioic acid
OPENEYE Name: (E)-2,3-dichlorobut-2-enedioic acid
IUPAC Name: (E)-2,3-dichlorobut-2-enedioic acid
SYSTEMATIC NAME: (E)-2,3-bis(chloranyl)but-2-enedioic acid
MOLECULAR FORMULA: C4H2Cl2O4
MOLECULAR WEIGHT: 184.96228
SMILES: C(=C(/C(=O)O)\Cl)(\C(=O)O)/Cl
Structure:
CAS RN: 35194-36-6
CAS Name: (E)-4-hexenoic acid
OPENEYE Name: (E)-hex-4-enoic acid
IUPAC Name: (E)-hex-4-enoic acid
SYSTEMATIC NAME: (E)-hex-4-enoic acid
MOLECULAR FORMULA: C6H10O2
MOLECULAR WEIGHT: 114.1424
SMILES: C/C=C/CCC(=O)O
Structure:
CAS RN: 2345-61-1
CAS Name: (E)-3-chloro-2-propenoic acid
OPENEYE Name: (E)-3-chloroprop-2-enoic acid
IUPAC Name: (E)-3-chloroprop-2-enoic acid
SYSTEMATIC NAME: (E)-3-chloranylprop-2-enoic acid
MOLECULAR FORMULA: C3H3ClO2
MOLECULAR WEIGHT: 106.50772
SMILES: C(=C/Cl)\C(=O)O
Structure:
CAS RN: 26952-44-3
CAS Name: (E)-3-chloro-2-propenoic acid
OPENEYE Name: (E)-3-chloroprop-2-enoic acid
IUPAC Name: (E)-3-chloroprop-2-enoic acid
SYSTEMATIC NAME: (E)-3-chloranylprop-2-enoic acid
MOLECULAR FORMULA: C3H3ClO2
MOLECULAR WEIGHT: 106.50772
SMILES: C(=C/Cl)\C(=O)O
Structure:
CAS RN: 625-40-1
CAS Name: (E)-3-chloro-2-propenoic acid
OPENEYE Name: (E)-3-chloroprop-2-enoic acid
IUPAC Name: (E)-3-chloroprop-2-enoic acid
SYSTEMATIC NAME: (E)-3-chloranylprop-2-enoic acid
MOLECULAR FORMULA: C3H3ClO2
MOLECULAR WEIGHT: 106.50772
SMILES: C(=C/Cl)\C(=O)O
Structure:
CAS RN: 13991-37-2
CAS Name: (E)-2-pentenoic acid
OPENEYE Name: (E)-pent-2-enoic acid
IUPAC Name: (E)-pent-2-enoic acid
SYSTEMATIC NAME: (E)-pent-2-enoic acid
MOLECULAR FORMULA: C5H8O2
MOLECULAR WEIGHT: 100.11582
SMILES: CC/C=C/C(=O)O
Structure:
CAS RN: 626-98-2
CAS Name: (E)-2-pentenoic acid
OPENEYE Name: (E)-pent-2-enoic acid
IUPAC Name: (E)-pent-2-enoic acid
SYSTEMATIC NAME: (E)-pent-2-enoic acid
MOLECULAR FORMULA: C5H8O2
MOLECULAR WEIGHT: 100.11582
SMILES: CC/C=C/C(=O)O
Structure:
CAS RN: 27516-53-6
CAS Name: (E)-2-pentenoic acid
OPENEYE Name: (E)-pent-2-enoic acid
IUPAC Name: (E)-pent-2-enoic acid
SYSTEMATIC NAME: (E)-pent-2-enoic acid
MOLECULAR FORMULA: C5H8O2
MOLECULAR WEIGHT: 100.11582
SMILES: CC/C=C/C(=O)O
Structure:
CAS RN: 40015-15-4
CAS Name: 1,1-dimethoxy-2-(methylthio)ethane
OPENEYE Name: 1,1-dimethoxy-2-methylsulfanyl-ethane
IUPAC Name: 1,1-dimethoxy-2-methylsulfanylethane
SYSTEMATIC NAME: 1,1-dimethoxy-2-methylsulfanyl-ethane
MOLECULAR FORMULA: C5H12O2S
MOLECULAR WEIGHT: 136.21258
SMILES: COC(CSC)OC
Structure:
CAS RN: 2386-57-4
CAS Name: sodium methanesulfonate
OPENEYE Name: sodium methanesulfonate
IUPAC Name: sodium methanesulfonate
SYSTEMATIC NAME: sodium methanesulfonate
MOLECULAR FORMULA: CH3NaO3S
MOLECULAR WEIGHT: 118.08749
SMILES: CS(=O)(=O)[O-].[Na+]
Structure:
CAS RN: 163883-52-1
CAS Name: sodium methanesulfonate
OPENEYE Name: sodium methanesulfonate
IUPAC Name: sodium methanesulfonate
SYSTEMATIC NAME: sodium methanesulfonate
MOLECULAR FORMULA: CH3NaO3S
MOLECULAR WEIGHT: 118.08749
SMILES: CS(=O)(=O)[O-].[Na+]
Structure:
CAS RN: 14400-73-8
CAS Name: (2R,7S)-octa-3,5-diyne-2,7-diol
OPENEYE Name: (2R,7S)-octa-3,5-diyne-2,7-diol
IUPAC Name: (2R,7S)-octa-3,5-diyne-2,7-diol
SYSTEMATIC NAME: (2R,7S)-octa-3,5-diyne-2,7-diol
MOLECULAR FORMULA: C8H10O2
MOLECULAR WEIGHT: 138.1638
SMILES: C[C@H](C#CC#C[C@H](C)O)O
Structure:
CAS RN: 42969-65-3
CAS Name: (2R)-3-butyn-2-ol
OPENEYE Name: (2R)-but-3-yn-2-ol
IUPAC Name: (2R)-but-3-yn-2-ol
SYSTEMATIC NAME: (2R)-but-3-yn-2-ol
MOLECULAR FORMULA: C4H6O
MOLECULAR WEIGHT: 70.08984
SMILES: C[C@H](C#C)O
Structure:
CAS RN: 52019-78-0
CAS Name: (2S)-2-hexanol
OPENEYE Name: (2S)-hexan-2-ol
IUPAC Name: (2S)-hexan-2-ol
SYSTEMATIC NAME: (2S)-hexan-2-ol
MOLECULAR FORMULA: C6H14O
MOLECULAR WEIGHT: 102.17476
SMILES: CCCC[C@H](C)O
Structure:
CAS RN: 103-30-0
CAS Name: (E)-stilbene
OPENEYE Name: (E)-stilbene
IUPAC Name: (E)-stilbene
SYSTEMATIC NAME: [(E)-2-phenylethenyl]benzene
MOLECULAR FORMULA: C14H12
MOLECULAR WEIGHT: 180.24508
SMILES: C1=CC=C(C=C1)/C=C/C2=CC=CC=C2
Structure:
CAS RN: 588-59-0
CAS Name: (E)-stilbene
OPENEYE Name: (E)-stilbene
IUPAC Name: (E)-stilbene
SYSTEMATIC NAME: [(E)-2-phenylethenyl]benzene
MOLECULAR FORMULA: C14H12
MOLECULAR WEIGHT: 180.24508
SMILES: C1=CC=C(C=C1)/C=C/C2=CC=CC=C2
Structure:
CAS RN: 2004-69-5
CAS Name: (E)-pent-3-en-1-yne
OPENEYE Name: (E)-pent-3-en-1-yne
IUPAC Name: (E)-pent-3-en-1-yne
SYSTEMATIC NAME: (E)-pent-3-en-1-yne
MOLECULAR FORMULA: C5H6
MOLECULAR WEIGHT: 66.10114
SMILES: C/C=C/C#C
Structure:
CAS RN: 2206-23-7
CAS Name: (E)-pent-3-en-1-yne
OPENEYE Name: (E)-pent-3-en-1-yne
IUPAC Name: (E)-pent-3-en-1-yne
SYSTEMATIC NAME: (E)-pent-3-en-1-yne
MOLECULAR FORMULA: C5H6
MOLECULAR WEIGHT: 66.10114
SMILES: C/C=C/C#C
Structure:
CAS RN: 4904-61-4
CAS Name: (1E,5E,9E)-cyclododeca-1,5,9-triene
OPENEYE Name: (1E,5E,9E)-cyclododeca-1,5,9-triene
IUPAC Name: (1E,5E,9E)-cyclododeca-1,5,9-triene
SYSTEMATIC NAME: (1E,5E,9E)-cyclododeca-1,5,9-triene
MOLECULAR FORMULA: C12H18
MOLECULAR WEIGHT: 162.27132
SMILES: C1/C=C/CC/C=C/CC/C=C/C1
Structure:
CAS RN: 676-22-2
CAS Name: (1E,5E,9E)-cyclododeca-1,5,9-triene
OPENEYE Name: (1E,5E,9E)-cyclododeca-1,5,9-triene
IUPAC Name: (1E,5E,9E)-cyclododeca-1,5,9-triene
SYSTEMATIC NAME: (1E,5E,9E)-cyclododeca-1,5,9-triene
MOLECULAR FORMULA: C12H18
MOLECULAR WEIGHT: 162.27132
SMILES: C1/C=C/CC/C=C/CC/C=C/C1
Structure:
CAS RN: 931-88-4
CAS Name: cyclooctene
OPENEYE Name: cyclooctene
IUPAC Name: cyclooctene
SYSTEMATIC NAME: cyclooctene
MOLECULAR FORMULA: C8H14
MOLECULAR WEIGHT: 110.19676
SMILES: C1CCC/C=C\CC1
Structure:
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