CAS RN: 590-12-5
CAS Name: (E)-1,2-dibromoethene
OPENEYE Name: (E)-1,2-dibromoethylene
IUPAC Name: (E)-1,2-dibromoethene
SYSTEMATIC NAME: (E)-1,2-bis(bromanyl)ethene
MOLECULAR FORMULA: C2H2Br2
MOLECULAR WEIGHT: 185.84528
SMILES: C(=C/Br)\Br
Structure:
CAS RN: 10340-88-2
CAS Name: (E)-1,2-dimethoxyethene
OPENEYE Name: (E)-1,2-dimethoxyethylene
IUPAC Name: (E)-1,2-dimethoxyethene
SYSTEMATIC NAME: (E)-1,2-dimethoxyethene
MOLECULAR FORMULA: C4H8O2
MOLECULAR WEIGHT: 88.10512
SMILES: CO/C=C/OC
Structure:
CAS RN: 4894-61-5
CAS Name: (E)-1-chloro-2-butene
OPENEYE Name: (E)-1-chlorobut-2-ene
IUPAC Name: (E)-1-chlorobut-2-ene
SYSTEMATIC NAME: (E)-1-chloranylbut-2-ene
MOLECULAR FORMULA: C4H7Cl
MOLECULAR WEIGHT: 90.55138
SMILES: C/C=C/CCl
Structure:
CAS RN: 591-97-9
CAS Name: (E)-1-chloro-2-butene
OPENEYE Name: (E)-1-chlorobut-2-ene
IUPAC Name: (E)-1-chlorobut-2-ene
SYSTEMATIC NAME: (E)-1-chloranylbut-2-ene
MOLECULAR FORMULA: C4H7Cl
MOLECULAR WEIGHT: 90.55138
SMILES: C/C=C/CCl
Structure:
CAS RN: 6117-91-5
CAS Name: (E)-2-buten-1-ol
OPENEYE Name: (E)-but-2-en-1-ol
IUPAC Name: (E)-but-2-en-1-ol
SYSTEMATIC NAME: (E)-but-2-en-1-ol
MOLECULAR FORMULA: C4H8O
MOLECULAR WEIGHT: 72.10572
SMILES: C/C=C/CO
Structure:
CAS RN: 504-61-0
CAS Name: (E)-2-buten-1-ol
OPENEYE Name: (E)-but-2-en-1-ol
IUPAC Name: (E)-but-2-en-1-ol
SYSTEMATIC NAME: (E)-but-2-en-1-ol
MOLECULAR FORMULA: C4H8O
MOLECULAR WEIGHT: 72.10572
SMILES: C/C=C/CO
Structure:
CAS RN: 542-72-3
CAS Name: (E)-2-buten-1-ol
OPENEYE Name: (E)-but-2-en-1-ol
IUPAC Name: (E)-but-2-en-1-ol
SYSTEMATIC NAME: (E)-but-2-en-1-ol
MOLECULAR FORMULA: C4H8O
MOLECULAR WEIGHT: 72.10572
SMILES: C/C=C/CO
Structure:
CAS RN: 4786-20-3
CAS Name: (E)-2-butenenitrile
OPENEYE Name: (E)-but-2-enenitrile
IUPAC Name: (E)-but-2-enenitrile
SYSTEMATIC NAME: (E)-but-2-enenitrile
MOLECULAR FORMULA: C4H5N
MOLECULAR WEIGHT: 67.0892
SMILES: C/C=C/C#N
Structure:
CAS RN: 627-26-9
CAS Name: (E)-2-butenenitrile
OPENEYE Name: (E)-but-2-enenitrile
IUPAC Name: (E)-but-2-enenitrile
SYSTEMATIC NAME: (E)-but-2-enenitrile
MOLECULAR FORMULA: C4H5N
MOLECULAR WEIGHT: 67.0892
SMILES: C/C=C/C#N
Structure:
CAS RN: 625-33-2
CAS Name: (E)-3-penten-2-one
OPENEYE Name: (E)-pent-3-en-2-one
IUPAC Name: (E)-pent-3-en-2-one
SYSTEMATIC NAME: (E)-pent-3-en-2-one
MOLECULAR FORMULA: C5H8O
MOLECULAR WEIGHT: 84.11642
SMILES: C/C=C/C(=O)C
Structure:
CAS RN: 3102-33-8
CAS Name: (E)-3-penten-2-one
OPENEYE Name: (E)-pent-3-en-2-one
IUPAC Name: (E)-pent-3-en-2-one
SYSTEMATIC NAME: (E)-pent-3-en-2-one
MOLECULAR FORMULA: C5H8O
MOLECULAR WEIGHT: 84.11642
SMILES: C/C=C/C(=O)C
Structure:
CAS RN: 3156-70-5
CAS Name: (E)-1-nitro-1-propene
OPENEYE Name: (E)-1-nitroprop-1-ene
IUPAC Name: (E)-1-nitroprop-1-ene
SYSTEMATIC NAME: (E)-1-nitroprop-1-ene
MOLECULAR FORMULA: C3H5NO2
MOLECULAR WEIGHT: 87.0773
SMILES: C/C=C/[N+](=O)[O-]
Structure:
CAS RN: 42848-06-6
CAS Name: (E)-1-(methylthio)-1-propene
OPENEYE Name: (E)-1-methylsulfanylprop-1-ene
IUPAC Name: (E)-1-methylsulfanylprop-1-ene
SYSTEMATIC NAME: (E)-1-methylsulfanylprop-1-ene
MOLECULAR FORMULA: C4H8S
MOLECULAR WEIGHT: 88.17132
SMILES: C/C=C/SC
Structure:
CAS RN: 7319-16-6
CAS Name: (E)-1-methoxy-1-propene
OPENEYE Name: (E)-1-methoxyprop-1-ene
IUPAC Name: (E)-1-methoxyprop-1-ene
SYSTEMATIC NAME: (E)-1-methoxyprop-1-ene
MOLECULAR FORMULA: C4H8O
MOLECULAR WEIGHT: 72.10572
SMILES: C/C=C/OC
Structure:
CAS RN: 926-57-8
CAS Name: (Z)-1,3-dichloro-2-butene
OPENEYE Name: (Z)-1,3-dichlorobut-2-ene
IUPAC Name: (Z)-1,3-dichlorobut-2-ene
SYSTEMATIC NAME: (Z)-1,3-bis(chloranyl)but-2-ene
MOLECULAR FORMULA: C4H6Cl2
MOLECULAR WEIGHT: 124.99644
SMILES: C/C(=C/CCl)/Cl
Structure:
CAS RN: 10075-38-4
CAS Name: (Z)-1,3-dichloro-2-butene
OPENEYE Name: (Z)-1,3-dichlorobut-2-ene
IUPAC Name: (Z)-1,3-dichlorobut-2-ene
SYSTEMATIC NAME: (Z)-1,3-bis(chloranyl)but-2-ene
MOLECULAR FORMULA: C4H6Cl2
MOLECULAR WEIGHT: 124.99644
SMILES: C/C(=C/CCl)/Cl
Structure:
CAS RN: 56059-28-0
CAS Name: 2-(5-fluoro-2,4-dioxo-1-pyrimidinyl)acetic acid methyl ester
OPENEYE Name: methyl 2-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)acetate
IUPAC Name: methyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
SYSTEMATIC NAME: methyl 2-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanoate
MOLECULAR FORMULA: C7H7FN2O4
MOLECULAR WEIGHT: 202.139883
SMILES: COC(=O)CN1C=C(C(=O)NC1=O)F
Structure:
CAS RN: 629-20-9
CAS Name: cyclooctatetraene
OPENEYE Name: cyclooctatetraene
IUPAC Name: cyclooctatetraene
SYSTEMATIC NAME: cyclooctatetraene
MOLECULAR FORMULA: C8H8
MOLECULAR WEIGHT: 104.14912
SMILES: C\1=C\C=C/C=C\C=C1
Structure:
CAS RN: 20069-09-4
CAS Name: 1-[(E)-1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]-2,3-dihydropyridin-6-one
OPENEYE Name: 1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
IUPAC Name: 1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
SYSTEMATIC NAME: 1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
MOLECULAR FORMULA: C17H19NO5
MOLECULAR WEIGHT: 317.33646
SMILES: COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O
Structure:
CAS RN: 58546-61-5
CAS Name: (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[oxo-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]methyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-
OPENEYE Name: methyl (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5
IUPAC Name: methyl (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy
SYSTEMATIC NAME: methyl (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-tris(o
MOLECULAR FORMULA: C43H68O14
MOLECULAR WEIGHT: 808.99162
SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)OC)O)O)O
Structure:
CAS RN: 7292-96-8
CAS Name: (E)-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methyl-2-penten-1-ol
OPENEYE Name: (E)-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylene-decalin-1-yl]-3-methyl-pent-2-en-1-ol
IUPAC Name: (E)-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-en-1-ol
SYSTEMATIC NAME: (E)-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methyl-pent-2-en-1-ol
MOLECULAR FORMULA: C20H34O
MOLECULAR WEIGHT: 290.48336
SMILES: C/C(=C\CO)/CC[C@@H]1C(=C)CC[C@H]2[C@]1(CCCC2(C)C)C
Structure:
CAS RN: 118898-15-0
CAS Name: 2-benzo[g][1,3]benzoselenazolamine
OPENEYE Name: benzo[g][1,3]benzoselenazol-2-amine
IUPAC Name: benzo[g][1,3]benzoselenazol-2-amine
SYSTEMATIC NAME: benzo[g][1,3]benzoselenazol-2-amine
MOLECULAR FORMULA: C11H8N2Se
MOLECULAR WEIGHT: 247.15462
SMILES: C1=CC=C2C(=C1)C=CC3=C2[Se]C(=N3)N
Structure:
CAS RN: 42885-14-3
CAS Name: 5-methyl-3-pyridinecarbonitrile
OPENEYE Name: 5-methylpyridine-3-carbonitrile
IUPAC Name: 5-methylpyridine-3-carbonitrile
SYSTEMATIC NAME: 5-methylpyridine-3-carbonitrile
MOLECULAR FORMULA: C7H6N2
MOLECULAR WEIGHT: 118.13594
SMILES: CC1=CN=CC(=C1)C#N
Structure:
CAS RN: 72943-98-7
CAS Name: (2E,6E)-9-(3-furanyl)-6-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienoic acid
OPENEYE Name: (2E,6E)-9-(3-furyl)-6-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienoic acid
IUPAC Name: (2E,6E)-9-(furan-3-yl)-6-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienoic acid
SYSTEMATIC NAME: (2E,6E)-9-(furan-3-yl)-6-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienoic acid
MOLECULAR FORMULA: C20H28O3
MOLECULAR WEIGHT: 316.43452
SMILES: CC(=CCC/C(=C\CC/C(=C/CCC1=COC=C1)/C)/C(=O)O)C
Structure:
CAS RN: 65596-25-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H22O5
MOLECULAR WEIGHT: 342.38568
SMILES: C[C@]12C[C@H](OC(=O)[C@@H]1CC[C@]34[C@@H]2CCC=C3C(=O)OC4)C5=COC=C5
Structure:
CAS RN: 7433-56-9
CAS Name: (E)-5-decene
OPENEYE Name: (E)-dec-5-ene
IUPAC Name: (E)-dec-5-ene
SYSTEMATIC NAME: (E)-dec-5-ene
MOLECULAR FORMULA: C10H20
MOLECULAR WEIGHT: 140.2658
SMILES: CCCC/C=C/CCCC
Structure:
CAS RN: 74394-96-0
CAS Name: thiocyanic acid [(E)-3-phenylprop-2-enyl] ester
OPENEYE Name: [(E)-cinnamyl] thiocyanate
IUPAC Name: [(E)-3-phenylprop-2-enyl] thiocyanate
SYSTEMATIC NAME: [(E)-3-phenylprop-2-enyl] thiocyanate
MOLECULAR FORMULA: C10H9NS
MOLECULAR WEIGHT: 175.25016
SMILES: C1=CC=C(C=C1)/C=C/CSC#N
Structure:
CAS RN: 1199-77-5
CAS Name: (E)-2-methyl-3-phenyl-2-propenoic acid
OPENEYE Name: (E)-2-methyl-3-phenyl-prop-2-enoic acid
IUPAC Name: (E)-2-methyl-3-phenylprop-2-enoic acid
SYSTEMATIC NAME: (E)-2-methyl-3-phenyl-prop-2-enoic acid
MOLECULAR FORMULA: C10H10O2
MOLECULAR WEIGHT: 162.1852
SMILES: C/C(=C\C1=CC=CC=C1)/C(=O)O
Structure:
CAS RN: 1615-02-7
CAS Name: (E)-3-(4-chlorophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(4-chlorophenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(4-chlorophenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(4-chlorophenyl)prop-2-enoic acid
MOLECULAR FORMULA: C9H7ClO2
MOLECULAR WEIGHT: 182.60368
SMILES: C1=CC(=CC=C1/C=C/C(=O)O)Cl
Structure:
CAS RN: 940-62-5
CAS Name: (E)-3-(4-chlorophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(4-chlorophenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(4-chlorophenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(4-chlorophenyl)prop-2-enoic acid
MOLECULAR FORMULA: C9H7ClO2
MOLECULAR WEIGHT: 182.60368
SMILES: C1=CC(=CC=C1/C=C/C(=O)O)Cl
Structure:
CAS RN: 120-58-1
CAS Name: 5-[(E)-prop-1-enyl]-1,3-benzodioxole
OPENEYE Name: 5-[(E)-prop-1-enyl]-1,3-benzodioxole
IUPAC Name: 5-[(E)-prop-1-enyl]-1,3-benzodioxole
SYSTEMATIC NAME: 5-[(E)-prop-1-enyl]-1,3-benzodioxole
MOLECULAR FORMULA: C10H10O2
MOLECULAR WEIGHT: 162.1852
SMILES: C/C=C/C1=CC2=C(C=C1)OCO2
Structure:
CAS RN: 4043-71-4
CAS Name: 5-[(E)-prop-1-enyl]-1,3-benzodioxole
OPENEYE Name: 5-[(E)-prop-1-enyl]-1,3-benzodioxole
IUPAC Name: 5-[(E)-prop-1-enyl]-1,3-benzodioxole
SYSTEMATIC NAME: 5-[(E)-prop-1-enyl]-1,3-benzodioxole
MOLECULAR FORMULA: C10H10O2
MOLECULAR WEIGHT: 162.1852
SMILES: C/C=C/C1=CC2=C(C=C1)OCO2
Structure:
CAS RN: 191281-03-5
CAS Name: 5-[(E)-prop-1-enyl]-1,3-benzodioxole
OPENEYE Name: 5-[(E)-prop-1-enyl]-1,3-benzodioxole
IUPAC Name: 5-[(E)-prop-1-enyl]-1,3-benzodioxole
SYSTEMATIC NAME: 5-[(E)-prop-1-enyl]-1,3-benzodioxole
MOLECULAR FORMULA: C10H10O2
MOLECULAR WEIGHT: 162.1852
SMILES: C/C=C/C1=CC2=C(C=C1)OCO2
Structure:
CAS RN: 46911-83-5
CAS Name: 2-[(4R)-2,5-dioxo-4-oxazolidinyl]acetic acid (phenylmethyl) ester
OPENEYE Name: benzyl 2-[(4R)-2,5-dioxooxazolidin-4-yl]acetate
IUPAC Name: benzyl 2-[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate
SYSTEMATIC NAME: (phenylmethyl) 2-[(4R)-2,5-bis(oxidanylidene)-1,3-oxazolidin-4-yl]ethanoate
MOLECULAR FORMULA: C12H11NO5
MOLECULAR WEIGHT: 249.21944
SMILES: C1=CC=C(C=C1)COC(=O)C[C@@H]2C(=O)OC(=O)N2
Structure:
CAS RN: 6379-72-2
CAS Name: 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene
OPENEYE Name: 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene
IUPAC Name: 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene
SYSTEMATIC NAME: 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: C/C=C/C1=CC(=C(C=C1)OC)OC
Structure:
CAS RN: 54349-79-0
CAS Name: 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene
OPENEYE Name: 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene
IUPAC Name: 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene
SYSTEMATIC NAME: 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: C/C=C/C1=CC(=C(C=C1)OC)OC
Structure:
CAS RN: 530-59-6
CAS Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoic acid
MOLECULAR FORMULA: C11H12O5
MOLECULAR WEIGHT: 224.20998
SMILES: COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O
Structure:
CAS RN: 7362-37-0
CAS Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoic acid
MOLECULAR FORMULA: C11H12O5
MOLECULAR WEIGHT: 224.20998
SMILES: COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O
Structure:
CAS RN: 94-41-7
CAS Name: (E)-1,3-diphenyl-2-propen-1-one
OPENEYE Name: (E)-1,3-diphenylprop-2-en-1-one
IUPAC Name: (E)-1,3-diphenylprop-2-en-1-one
SYSTEMATIC NAME: (E)-1,3-diphenylprop-2-en-1-one
MOLECULAR FORMULA: C15H12O
MOLECULAR WEIGHT: 208.25518
SMILES: C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2
Structure:
CAS RN: 614-47-1
CAS Name: (E)-1,3-diphenyl-2-propen-1-one
OPENEYE Name: (E)-1,3-diphenylprop-2-en-1-one
IUPAC Name: (E)-1,3-diphenylprop-2-en-1-one
SYSTEMATIC NAME: (E)-1,3-diphenylprop-2-en-1-one
MOLECULAR FORMULA: C15H12O
MOLECULAR WEIGHT: 208.25518
SMILES: C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2
Structure:
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