CAS RN: 22168-29-2
CAS Name: (Z)-2-(2-furanyl)-3-(5-nitro-2-thiophenyl)-2-propenamide
OPENEYE Name: (Z)-2-(2-furyl)-3-(5-nitro-2-thienyl)prop-2-enamide
IUPAC Name: (Z)-2-(furan-2-yl)-3-(5-nitrothiophen-2-yl)prop-2-enamide
SYSTEMATIC NAME: (Z)-2-(furan-2-yl)-3-(5-nitrothiophen-2-yl)prop-2-enamide
MOLECULAR FORMULA: C11H8N2O4S
MOLECULAR WEIGHT: 264.25722
SMILES: C1=COC(=C1)/C(=C/C2=CC=C(S2)[N+](=O)[O-])/C(=O)N
Structure:
CAS RN: 20719-25-9
CAS Name: 4-methylbenzenesulfonate; (E)-3-[4-[(E)-3-[4-[(1-methyl-3-pyridin-1-iumyl)amino]anilino]-3-oxoprop-1-enyl]phenyl]-N-[4-[(1-methyl-4-pyridin-1-iumyl)amino]phenyl]-2-propenamide
OPENEYE Name: 4-methylbenzenesulfonate; (E)-3-[4-[(E)-3-[4-[(1-methylpyridin-1-ium-3-yl)amino]anilino]-3-oxo-prop-1-enyl]phenyl]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]prop-2-enamide
IUPAC Name: 4-methylbenzenesulfonate; (E)-3-[4-[(E)-3-[4-[(1-methylpyridin-1-ium-3-yl)amino]anilino]-3-oxoprop-1-enyl]phenyl]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]prop-2-enamide
SYSTEMATIC NAME: 4-methylbenzenesulfonate; (E)-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-3-[4-[(E)-3-[[4-[(1-methylpyridin-1-ium-3-yl)amino]phenyl]amino]-3-oxidanylidene-prop-1-enyl]phenyl]prop-2-enamide
MOLECULAR FORMULA: C50H48N6O8S2
MOLECULAR WEIGHT: 925.08152
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)/C=C/C(=O)NC4=CC=C(C=C4)NC5=C[N+](=CC=C5)C
Structure:
CAS RN: 19716-26-8
CAS Name: (2R,3R,4S,5S,6R)-2-[[(10R,13R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2R,3R,4S,5S,6R)-2-[[(10R,13R,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(10R,13R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[[(10R,13R,17R)-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C35H58O6
MOLECULAR WEIGHT: 574.83142
SMILES: CC[C@H](/C=C/[C@@H](C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CCC(C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C
Structure:
CAS RN: 19633-95-5
CAS Name: (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,9S,10R,13R,14R,17R)-17-[(E,1R)-1,5-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C27H42O
MOLECULAR WEIGHT: 382.62178
SMILES: C[C@H](/C=C/CC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C
Structure:
CAS RN: 19396-03-3
CAS Name: (2S,3Z)-1-[(2S)-2-[[(2S,3S,4S)-2-amino-5-carbamoyloxy-3,4-dihydroxy-1-oxopentyl]amino]-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-1-pyrimidinyl]-2-oxolanyl]-1-oxoethyl]-3-ethylidene-2-azetidinecarboxylic acid
OPENEYE Name: (2S,3Z)-1-[(2S)-2-[[(2S,3S,4S)-2-amino-5-carbamoyloxy-3,4-dihydroxy-pentanoyl]amino]-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]acetyl]-3-ethylidene-azetidine-2-carboxylic acid
IUPAC Name: (2S,3Z)-1-[(2S)-2-[[(2S,3S,4S)-2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl]amino]-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]acetyl]-3-ethylideneazetidine-2-carboxylic acid
SYSTEMATIC NAME: (2S,3Z)-1-[(2S)-2-[[(2S,3S,4S)-5-aminocarbonyloxy-2-azanyl-3,4-bis(oxidanyl)pentanoyl]amino]-2-[(2R,3S,4R,5R)-5-[5-(hydroxymethyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]ethanoyl]-3-ethylidene-azetidine-2-carboxylic acid
MOLECULAR FORMULA: C23H32N6O14
MOLECULAR WEIGHT: 616.53198
SMILES: C/C=C\1/CN([C@@H]1C(=O)O)C(=O)[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C(=O)NC3=O)CO)O)O)NC(=O)[C@H]([C@@H]([C@H](COC(=O)N)O)O)N
Structure:
CAS RN: 19060-42-5
CAS Name: 4-methylbenzenesulfonate; 4-[(E)-3-[4-[[(1-methyl-3-pyridin-1-iumyl)amino]-oxomethyl]anilino]-3-oxoprop-1-enyl]-N-[4-[[(1-methyl-3-pyridin-1-iumyl)amino]-oxomethyl]phenyl]benzamide
OPENEYE Name: 4-methylbenzenesulfonate; 4-[(E)-3-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]anilino]-3-oxo-prop-1-enyl]-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzamide
IUPAC Name: 4-methylbenzenesulfonate; 4-[(E)-3-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]anilino]-3-oxoprop-1-enyl]-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzamide
SYSTEMATIC NAME: 4-methylbenzenesulfonate; N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]-4-[(E)-3-[[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]amino]-3-oxidanylidene-prop-1-enyl]benzamide
MOLECULAR FORMULA: C50H46N6O10S2
MOLECULAR WEIGHT: 955.06444
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C[N+](=CC=C5)C
Structure:
CAS RN: 19022-51-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H38O3
MOLECULAR WEIGHT: 386.56742
SMILES: CC(CCC=C(C)C)[C@H]1CC[C@]2([C@H]1C/C=C(\[C@@H]3[C@H](C2)[C@@](CC3=O)(C)O)/C=O)C
Structure:
CAS RN: 16639-19-3
CAS Name: (2S,3S,4S,5R,6R)-6-[(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6R)-6-[(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6R)-6-[(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-[(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C26H38O7
MOLECULAR WEIGHT: 462.57572
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C/CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)\C)/C
Structure:
CAS RN: 16596-97-7
CAS Name: tetrasodium 2-[4-[(E)-2-[4-[2-methyl-4-(7-sulfonato-2-benzo[e]benzotriazolyl)phenyl]azo-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]-5-benzo[e]benzotriazolesulfonate
OPENEYE Name: tetrasodium 2-[4-[(E)-2-[4-[2-methyl-4-(7-sulfonatobenzo[e]benzotriazol-2-yl)phenyl]azo-2-sulfonato-phenyl]vinyl]-3-sulfonato-phenyl]benzo[e]benzotriazole-5-sulfonate
IUPAC Name: tetrasodium 2-[4-[(E)-2-[4-[[2-methyl-4-(7-sulfonatobenzo[e]benzotriazol-2-yl)phenyl]diazenyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]benzo[e]benzotriazole-5-sulfonate
SYSTEMATIC NAME: tetrasodium 2-[4-[(E)-2-[4-[[2-methyl-4-(7-sulfonatobenzo[e]benzotriazol-2-yl)phenyl]diazenyl]-2-sulfonato-phenyl]ethenyl]-3-sulfonato-phenyl]benzo[e]benzotriazole-5-sulfonate
MOLECULAR FORMULA: C41H24N8Na4O12S4
MOLECULAR WEIGHT: 1040.89474
SMILES: CC1=C(C=CC(=C1)N2N=C3C=CC4=C(C3=N2)C=CC(=C4)S(=O)(=O)[O-])N=NC5=CC(=C(C=C5)/C=C/C6=C(C=C(C=C6)N7N=C8C=C(C9=CC=CC=C9C8=N7)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 15941-82-9
CAS Name: (2Z)-3-ethyl-2-[(1-ethyl-4-quinolin-1-iumyl)methylidene]-1,3-benzothiazole iodide
OPENEYE Name: (2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylene]-1,3-benzothiazole iodide
IUPAC Name: (2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide
SYSTEMATIC NAME: (2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide
MOLECULAR FORMULA: C21H21IN2S
MOLECULAR WEIGHT: 460.37431
SMILES: CCN\1C2=CC=CC=C2S/C1=C\C3=CC=[N+](C4=CC=CC=C34)CC.[I-]
Structure:
CAS RN: 57282-58-3
CAS Name: (2Z)-3-ethyl-2-[(1-ethyl-4-quinolin-1-iumyl)methylidene]-1,3-benzothiazole iodide
OPENEYE Name: (2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylene]-1,3-benzothiazole iodide
IUPAC Name: (2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide
SYSTEMATIC NAME: (2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide
MOLECULAR FORMULA: C21H21IN2S
MOLECULAR WEIGHT: 460.37431
SMILES: CCN\1C2=CC=CC=C2S/C1=C\C3=CC=[N+](C4=CC=CC=C34)CC.[I-]
Structure:
CAS RN: 15671-27-9
CAS Name: cobalt(3+); [5-(5,6-dimethyl-1-benzimidazolyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] 1-[[1-oxo-3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]pro
OPENEYE Name: cobaltic; [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [1-methyl-2-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21
IUPAC Name: cobalt(3+); [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoyla
SYSTEMATIC NAME: cobalt(3+); [5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-co
MOLECULAR FORMULA: C62H89CoN13O17PS
MOLECULAR WEIGHT: 1410.418921
SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.OS(=O)[O-].[Co+3]
Structure:
CAS RN: 13698-55-0
CAS Name: (E)-2-butenedioate; lead(2+)
OPENEYE Name: plumbous (E)-but-2-enedioate
IUPAC Name: (E)-but-2-enedioate; lead(2+)
SYSTEMATIC NAME: (E)-but-2-enedioate; lead(2+)
MOLECULAR FORMULA: C4H2O4Pb
MOLECULAR WEIGHT: 321.25628
SMILES: C(=C/C(=O)[O-])\C(=O)[O-].[Pb+2]
Structure:
CAS RN: 71686-03-8
CAS Name: (E)-2-butenedioate; lead(2+)
OPENEYE Name: plumbous (E)-but-2-enedioate
IUPAC Name: (E)-but-2-enedioate; lead(2+)
SYSTEMATIC NAME: (E)-but-2-enedioate; lead(2+)
MOLECULAR FORMULA: C4H2O4Pb
MOLECULAR WEIGHT: 321.25628
SMILES: C(=C/C(=O)[O-])\C(=O)[O-].[Pb+2]
Structure:
CAS RN: 6910-76-5
CAS Name: (E)-2-chloro-2-butenedinitrile
OPENEYE Name: (E)-2-chlorobut-2-enedinitrile
IUPAC Name: (E)-2-chlorobut-2-enedinitrile
SYSTEMATIC NAME: (E)-2-chloranylbut-2-enedinitrile
MOLECULAR FORMULA: C4HClN2
MOLECULAR WEIGHT: 112.51714
SMILES: C(=C(\C#N)/Cl)\C#N
Structure:
CAS RN: 6890-94-4
CAS Name: (4E)-4-[(2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraenylidene]-3,5,5-trimethyl-1-cyclohex-2-enol
OPENEYE Name: (4E)-4-[(2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraenylidene]-3,5,5-trimethyl-cyclohex-2-en-1-ol
IUPAC Name: (4E)-4-[(2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraenylidene]-3,5,5-trimethylcyclohex-2-en-1-ol
SYSTEMATIC NAME: (4E)-4-[(2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraenylidene]-3,5,5-trimethyl-cyclohex-2-en-1-ol
MOLECULAR FORMULA: C20H28O
MOLECULAR WEIGHT: 284.43572
SMILES: CC\1=CC(CC(/C1=C\C=C(/C)\C=C\C=C(/C)\C=C)(C)C)O
Structure:
CAS RN: 6542-05-8
CAS Name: 2,3-bis[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]propyl 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: 2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl 2-(trimethylammonio)ethyl phosphate
IUPAC Name: 2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: 2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C44H80NO8P
MOLECULAR WEIGHT: 782.081661
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Structure:
CAS RN: 6029-82-9
CAS Name: (Z)-2-methyl-2-butenoic acid [(1R,8R)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] ester
OPENEYE Name: [(1R,8R)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] (Z)-2-methylbut-2-enoate
IUPAC Name: [(1R,8R)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(1R,8R)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C13H19NO3
MOLECULAR WEIGHT: 237.29486
SMILES: C/C=C(/C)\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)CO
Structure:
CAS RN: 4176-16-3
CAS Name: (E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methyl-2-propenal
OPENEYE Name: (E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methyl-prop-2-enal
IUPAC Name: (E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enal
SYSTEMATIC NAME: (E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methyl-prop-2-enal
MOLECULAR FORMULA: C15H22O
MOLECULAR WEIGHT: 218.33458
SMILES: C[C@@H]1CC[C@H](C2=C(CC[C@H]12)C)/C=C(\C)/C=O
Structure:
CAS RN: 3819-09-8
CAS Name: 2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]benzene-1,4-diol
OPENEYE Name: 2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]benzene-1,4-diol
IUPAC Name: 2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]benzene-1,4-diol
SYSTEMATIC NAME: 2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]benzene-1,4-diol
MOLECULAR FORMULA: C53H82O2
MOLECULAR WEIGHT: 751.21698
SMILES: CC1=C(C=C(C(=C1C)O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O
Structure:
CAS RN: 3569-10-6
CAS Name: (E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methyl-2-propenoic acid
OPENEYE Name: (E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methyl-prop-2-enoic acid
IUPAC Name: (E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methyl-prop-2-enoic acid
MOLECULAR FORMULA: C15H22O2
MOLECULAR WEIGHT: 234.33398
SMILES: C[C@@H]1CC[C@H](C2=C(CC[C@H]12)C)/C=C(\C)/C(=O)O
Structure:
CAS RN: 136173-26-7
CAS Name: (Z)-2-(hydroxymethyl)-2-butenoic acid [(1S,7R,8R)-7-[(E)-2-methyl-1-oxobut-2-enoxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl ester
OPENEYE Name: [(1S,7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate
IUPAC Name: [(1S,7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate
SYSTEMATIC NAME: [(1S,7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate
MOLECULAR FORMULA: C18H27NO5
MOLECULAR WEIGHT: 337.41068
SMILES: C/C=C(\C)/C(=O)O[C@@H]1CCN2[C@@H]1[C@H](CC2)COC(=O)/C(=C\C)/CO
Structure:
CAS RN: 2492-09-3
CAS Name: (Z)-2-(hydroxymethyl)-2-butenoic acid [(1S,7R,8R)-7-[(E)-2-methyl-1-oxobut-2-enoxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl ester
OPENEYE Name: [(1S,7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate
IUPAC Name: [(1S,7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate
SYSTEMATIC NAME: [(1S,7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate
MOLECULAR FORMULA: C18H27NO5
MOLECULAR WEIGHT: 337.41068
SMILES: C/C=C(\C)/C(=O)O[C@@H]1CCN2[C@@H]1[C@H](CC2)COC(=O)/C(=C\C)/CO
Structure:
CAS RN: 1534-38-9
CAS Name: 4-[(E)-2-(5-nitro-2-furanyl)ethenyl]benzoic acid
OPENEYE Name: 4-[(E)-2-(5-nitro-2-furyl)vinyl]benzoic acid
IUPAC Name: 4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoic acid
SYSTEMATIC NAME: 4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoic acid
MOLECULAR FORMULA: C13H9NO5
MOLECULAR WEIGHT: 259.21426
SMILES: C1=CC(=CC=C1/C=C/C2=CC=C(O2)[N+](=O)[O-])C(=O)O
Structure:
CAS RN: 1173-76-8
CAS Name: 2,3-dimethoxy-5-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,3-dimethoxy-5-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1,4-benzoquinone
IUPAC Name: 2,3-dimethoxy-5-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,3-dimethoxy-5-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C24H34O4
MOLECULAR WEIGHT: 386.52436
SMILES: CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
Structure:
CAS RN: 521-67-5
CAS Name: (1S,3S,4R,5R)-8-methyl-3-[(E)-1-oxo-3-phenylprop-2-enoxy]-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester
OPENEYE Name: methyl (1S,3S,4R,5R)-8-methyl-3-[(E)-3-phenylprop-2-enoyl]oxy-8-azabicyclo[3.2.1]octane-4-carboxylate
IUPAC Name: methyl (1S,3S,4R,5R)-8-methyl-3-[(E)-3-phenylprop-2-enoyl]oxy-8-azabicyclo[3.2.1]octane-4-carboxylate
SYSTEMATIC NAME: methyl (1S,3S,4R,5R)-8-methyl-3-[(E)-3-phenylprop-2-enoyl]oxy-8-azabicyclo[3.2.1]octane-4-carboxylate
MOLECULAR FORMULA: C19H23NO4
MOLECULAR WEIGHT: 329.39022
SMILES: CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)/C=C/C3=CC=CC=C3)C(=O)OC
Structure:
CAS RN: 504-97-2
CAS Name: (2E,6Z,8E,10E)-N-(2-methylpropyl)dodeca-2,6,8,10-tetraenamide
OPENEYE Name: (2E,6Z,8E,10E)-N-isobutyldodeca-2,6,8,10-tetraenamide
IUPAC Name: (2E,6Z,8E,10E)-N-(2-methylpropyl)dodeca-2,6,8,10-tetraenamide
SYSTEMATIC NAME: (2E,6Z,8E,10E)-N-(2-methylpropyl)dodeca-2,6,8,10-tetraenamide
MOLECULAR FORMULA: C16H25NO
MOLECULAR WEIGHT: 247.3758
SMILES: C/C=C/C=C/C=C\CC/C=C/C(=O)NCC(C)C
Structure:
No comments:
Post a Comment