CAS RN: 62639-97-8
CAS Name: [(E)-2-ethoxyprop-1-enyl]-triphenylphosphonium iodide
OPENEYE Name: [(E)-2-ethoxyprop-1-enyl]-triphenyl-phosphonium iodide
IUPAC Name: [(E)-2-ethoxyprop-1-enyl]-triphenylphosphanium iodide
SYSTEMATIC NAME: [(E)-2-ethoxyprop-1-enyl]-triphenyl-phosphanium iodide
MOLECULAR FORMULA: C23H24IOP
MOLECULAR WEIGHT: 474.314291
SMILES: CCO/C(=C/[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/C.[I-]
Structure:
CAS RN: 61371-61-7
CAS Name: 2-[(2S,3S)-3-[(E)-6-methyldodec-5-enyl]-2-oxiranyl]-2-propenoic acid
OPENEYE Name: 2-[(2S,3S)-3-[(E)-6-methyldodec-5-enyl]oxiran-2-yl]prop-2-enoic acid
IUPAC Name: 2-[(2S,3S)-3-[(E)-6-methyldodec-5-enyl]oxiran-2-yl]prop-2-enoic acid
SYSTEMATIC NAME: 2-[(2S,3S)-3-[(E)-6-methyldodec-5-enyl]oxiran-2-yl]prop-2-enoic acid
MOLECULAR FORMULA: C18H30O3
MOLECULAR WEIGHT: 294.429
SMILES: CCCCCC/C(=C/CCCC[C@H]1[C@@H](O1)C(=C)C(=O)O)/C
Structure:
CAS RN: 61036-46-2
CAS Name: (2E,4E,8E,10E)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoic acid [3',4,6-trihydroxy-6'-(hydroxymethyl)-5'-[[3,4,5-trihydroxy-6-[[(2E,4E)-1-oxodeca-2,4-dienoxy]methyl]-2-oxanyl]oxy]-4'-spiro[1H-isobenzofuran-3,2'-oxane]yl] ester
OPENEYE Name: [5'-[6-[[(2E,4E)-deca-2,4-dienoyl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3',4,6-trihydroxy-6'-(hydroxymethyl)spiro[1H-isobenzofuran-3,2'-tetrahydropyran]-4'-yl] (2E,4E,8E,10E)-7-hydroxy-8,14-dimethyl-hexadeca-2,4,8,10-tetraenoate
IUPAC Name: [5'-[6-[[(2E,4E)-deca-2,4-dienoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3',4,6-trihydroxy-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-4'-yl] (2E,4E,8E,10E)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate
SYSTEMATIC NAME: [5'-[6-[[(2E,4E)-deca-2,4-dienoyl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6'-(hydroxymethyl)-3',4,6-tris(oxidanyl)spiro[1H-2-benzofuran-3,2'-oxane]-4'-yl] (2E,4E,8E,10E)-8,14-dimethyl-7-oxidanyl-hexadeca-2,4,8,10-tetraenoate
MOLECULAR FORMULA: C47H66O16
MOLECULAR WEIGHT: 887.01734
SMILES: CCCCC/C=C/C=C/C(=O)OCC1C(C(C(C(O1)OC2C(OC3(C(C2OC(=O)/C=C/C=C/CC(/C(=C/C=C/CCC(C)CC)/C)O)O)C4=C(C=C(C=C4CO3)O)O)CO)O)O)O
Structure:
CAS RN: 60960-29-4
CAS Name: (E)-2-butenedioic acid; 2-[4-[[1-(3-oxo-3-phenylpropyl)-2-benzimidazolyl]methyl]-1-piperazinyl]-N-propan-2-ylacetamide
OPENEYE Name: fumaric acid; N-isopropyl-2-[4-[[1-(3-oxo-3-phenyl-propyl)benzimidazol-2-yl]methyl]piperazin-1-yl]acetamide
IUPAC Name: (E)-but-2-enedioic acid; 2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-[4-[[1-(3-oxidanylidene-3-phenyl-propyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-N-propan-2-yl-ethanamide
MOLECULAR FORMULA: C34H41N5O10
MOLECULAR WEIGHT: 679.71684
SMILES: CC(NC(=O)CN1CCN(CC1)CC2=NC3=CC=CC=C3N2CCC(=O)C4=CC=CC=C4)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 60248-24-0
CAS Name: (E)-2-butenedioic acid; 1-(2-furanyl)-3-[2-[[4-[(Z)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-1-benzimidazolyl]-1-propanone
OPENEYE Name: 3-[2-[[4-[(Z)-cinnamyl]piperazin-1-yl]methyl]benzimidazol-1-yl]-1-(2-furyl)propan-1-one; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(furan-2-yl)-3-[2-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(furan-2-yl)-3-[2-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one
MOLECULAR FORMULA: C36H38N4O10
MOLECULAR WEIGHT: 686.70772
SMILES: C1N(CCN(C1)CC2=NC3=CC=CC=C3N2CCC(=O)C4=CC=CO4)C/C=C\C5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 56648-99-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H48O7
MOLECULAR WEIGHT: 568.74072
SMILES: CCCCCCC/C=C/C=C/C(=O)O[C@@]12C[C@H]([C@]3([C@H]([C@@H]1C2(C)C)C=C(C[C@]4([C@H]3C=C(C4=O)C)O)COC(=O)C)O)C
Structure:
CAS RN: 53696-65-4
CAS Name: 6-[(1E,3E)-penta-1,3-dienyl]-2,3,4,5-tetrahydropyridine
OPENEYE Name: 6-[(1E,3E)-penta-1,3-dienyl]-2,3,4,5-tetrahydropyridine
IUPAC Name: 6-[(1E,3E)-penta-1,3-dienyl]-2,3,4,5-tetrahydropyridine
SYSTEMATIC NAME: 6-[(1E,3E)-penta-1,3-dienyl]-2,3,4,5-tetrahydropyridine
MOLECULAR FORMULA: C10H15N
MOLECULAR WEIGHT: 149.2328
SMILES: C/C=C/C=C/C1=NCCCC1
Structure:
CAS RN: 40336-43-4
CAS Name: (E)-6-(4-carbamoyloxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid ethyl ester
OPENEYE Name: ethyl (E)-6-(4-carbamoyloxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoate
IUPAC Name: ethyl (E)-6-(4-carbamoyloxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
SYSTEMATIC NAME: ethyl (E)-6-(4-aminocarbonyloxy-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoate
MOLECULAR FORMULA: C20H25NO7
MOLECULAR WEIGHT: 391.415
SMILES: CCOC(=O)CC/C(=C/CC1=C(C2=C(COC2=O)C(=C1OC)C)OC(=O)N)/C
Structure:
CAS RN: 38965-70-7
CAS Name: 4-[(1Z,3Z)-4-(3,4-dihydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl]benzene-1,2-diol
OPENEYE Name: 4-[(1Z,3Z)-4-(3,4-dihydroxyphenyl)-2,3-diisocyano-buta-1,3-dienyl]benzene-1,2-diol
IUPAC Name: 4-[(1Z,3Z)-4-(3,4-dihydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl]benzene-1,2-diol
SYSTEMATIC NAME: 4-[(1Z,3Z)-4-[3,4-bis(oxidanyl)phenyl]-2,3-diisocyano-buta-1,3-dienyl]benzene-1,2-diol
MOLECULAR FORMULA: C18H12N2O4
MOLECULAR WEIGHT: 320.29888
SMILES: [C-]#[N+]/C(=C\C1=CC(=C(C=C1)O)O)/C(=C/C2=CC(=C(C=C2)O)O)/[N+]#[C-]
Structure:
CAS RN: 38965-69-4
CAS Name: 4-[(1Z,3Z)-4-(4-hydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl]benzene-1,2-diol
OPENEYE Name: 4-[(1Z,3Z)-4-(4-hydroxyphenyl)-2,3-diisocyano-buta-1,3-dienyl]benzene-1,2-diol
IUPAC Name: 4-[(1Z,3Z)-4-(4-hydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl]benzene-1,2-diol
SYSTEMATIC NAME: 4-[(1Z,3Z)-4-(4-hydroxyphenyl)-2,3-diisocyano-buta-1,3-dienyl]benzene-1,2-diol
MOLECULAR FORMULA: C18H12N2O3
MOLECULAR WEIGHT: 304.29948
SMILES: [C-]#[N+]/C(=C\C1=CC=C(C=C1)O)/C(=C/C2=CC(=C(C=C2)O)O)/[N+]#[C-]
Structure:
CAS RN: 38264-25-4
CAS Name: (17Z,23Z)-3-butyl-4,6,8,10,12,14,16,27-octahydroxy-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
OPENEYE Name: (17Z,23Z)-3-butyl-4,6,8,10,12,14,16,27-octahydroxy-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
IUPAC Name: (17Z,23Z)-3-butyl-4,6,8,10,12,14,16,27-octahydroxy-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
SYSTEMATIC NAME: (17Z,23Z)-3-butyl-17,28-dimethyl-4,6,8,10,12,14,16,27-octakis(oxidanyl)-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
MOLECULAR FORMULA: C33H54O10
MOLECULAR WEIGHT: 610.77586
SMILES: CCCCC1C(CC(CC(CC(CC(CC(CC(/C(=C\C=CC=C/C=C\C=CC(C(OC1=O)C)O)/C)O)O)O)O)O)O)O
Structure:
CAS RN: 37028-40-3
CAS Name: (3Z)-N,N-dimethyl-3-[2-(trifluoromethyl)-9-thioxanthenylidene]-1-propanamine hydrochloride
OPENEYE Name: (3Z)-N,N-dimethyl-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propan-1-amine hydrochloride
IUPAC Name: (3Z)-N,N-dimethyl-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propan-1-amine hydrochloride
SYSTEMATIC NAME: (3Z)-N,N-dimethyl-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propan-1-amine hydrochloride
MOLECULAR FORMULA: C19H19ClF3NS
MOLECULAR WEIGHT: 385.87407
SMILES: CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F.Cl
Structure:
CAS RN: 37028-28-7
CAS Name: (3E)-N,N-dimethyl-3-[2-(trifluoromethyl)-9-thioxanthenylidene]-1-propanamine hydrochloride
OPENEYE Name: (3E)-N,N-dimethyl-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propan-1-amine hydrochloride
IUPAC Name: (3E)-N,N-dimethyl-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propan-1-amine hydrochloride
SYSTEMATIC NAME: (3E)-N,N-dimethyl-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propan-1-amine hydrochloride
MOLECULAR FORMULA: C19H19ClF3NS
MOLECULAR WEIGHT: 385.87407
SMILES: CN(C)CC/C=C/1\C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F.Cl
Structure:
CAS RN: 36958-87-9
CAS Name: (2Z)-2-(3-ethyl-4-oxo-2-thiazolidinylidene)acetic acid ethyl ester
OPENEYE Name: ethyl (2Z)-2-(3-ethyl-4-oxo-thiazolidin-2-ylidene)acetate
IUPAC Name: ethyl (2Z)-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)acetate
SYSTEMATIC NAME: ethyl (2Z)-2-(3-ethyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene)ethanoate
MOLECULAR FORMULA: C9H13NO3S
MOLECULAR WEIGHT: 215.26942
SMILES: CCN\1C(=O)CS/C1=C\C(=O)OCC
Structure:
CAS RN: 30468-49-6
CAS Name: trisodium 2-[3-sulfonato-4-[(E)-2-[2-sulfonato-4-(1,2,4-triazol-1-yl)phenyl]ethenyl]phenyl]-7-benzo[e]benzotriazolesulfonate
OPENEYE Name: trisodium 2-[3-sulfonato-4-[(E)-2-[2-sulfonato-4-(1,2,4-triazol-1-yl)phenyl]vinyl]phenyl]benzo[e]benzotriazole-7-sulfonate
IUPAC Name: trisodium 2-[3-sulfonato-4-[(E)-2-[2-sulfonato-4-(1,2,4-triazol-1-yl)phenyl]ethenyl]phenyl]benzo[e]benzotriazole-7-sulfonate
SYSTEMATIC NAME: trisodium 2-[3-sulfonato-4-[(E)-2-[2-sulfonato-4-(1,2,4-triazol-1-yl)phenyl]ethenyl]phenyl]benzo[e]benzotriazole-7-sulfonate
MOLECULAR FORMULA: C26H15N6Na3O9S3
MOLECULAR WEIGHT: 720.59641
SMILES: C1=CC(=C(C=C1N2C=NC=N2)S(=O)(=O)[O-])/C=C/C3=C(C=C(C=C3)N4N=C5C=CC6=C(C5=N4)C=CC(=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
Structure:
CAS RN: 30117-73-8
CAS Name: [4-[(Z)-1-indenylidenemethyl]phenyl]-trimethylammonium iodide
OPENEYE Name: [4-[(Z)-inden-1-ylidenemethyl]phenyl]-trimethyl-ammonium iodide
IUPAC Name: [4-[(Z)-inden-1-ylidenemethyl]phenyl]-trimethylazanium iodide
SYSTEMATIC NAME: [4-[(Z)-inden-1-ylidenemethyl]phenyl]-trimethyl-azanium iodide
MOLECULAR FORMULA: C19H20IN
MOLECULAR WEIGHT: 389.27327
SMILES: C[N+](C)(C)C1=CC=C(C=C1)/C=C\2/C=CC3=CC=CC=C32.[I-]
Structure:
CAS RN: 25375-16-0
CAS Name: 2-(1,3-dihydroxypropan-2-yl)-6-[(1E,3E)-hexa-1,3,5-trienyl]-N-iminobenzamide
OPENEYE Name: 2-[(1E,3E)-hexa-1,3,5-trienyl]-6-[2-hydroxy-1-(hydroxymethyl)ethyl]-N-imino-benzamide
IUPAC Name: 2-(1,3-dihydroxypropan-2-yl)-6-[(1E,3E)-hexa-1,3,5-trienyl]-N-iminobenzamide
SYSTEMATIC NAME: N-azanylidene-2-[1,3-bis(oxidanyl)propan-2-yl]-6-[(1E,3E)-hexa-1,3,5-trienyl]benzamide
MOLECULAR FORMULA: C16H18N2O3
MOLECULAR WEIGHT: 286.32572
SMILES: C=C/C=C/C=C/C1=C(C(=CC=C1)C(CO)CO)C(=O)N=N
Structure:
CAS RN: 25090-72-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H36O7
MOLECULAR WEIGHT: 472.57054
SMILES: C/C=C(\C)/C(=O)O[C@@]12C[C@H]([C@]3([C@H]([C@@H]1C2(C)C)C=C(C[C@]4([C@H]3C=C(C4=O)C)O)COC(=O)C)O)C
Structure:
CAS RN: 24868-62-0
CAS Name: (E)-2-butenedioic acid; 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-thia-1,8-diazaspiro[4.5]decan-2-one
OPENEYE Name: 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-thia-1,8-diazaspiro[4.5]decan-2-one; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-thia-1,8-diazaspiro[4.5]decan-2-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-thia-1,8-diazaspiro[4.5]decan-2-one
MOLECULAR FORMULA: C20H24N2O7S
MOLECULAR WEIGHT: 436.47876
SMILES: C1CN(CCC12NC(=O)CS2)CC3COC4=CC=CC=C4O3.C(=C/C(=O)O)\C(=O)O
Structure:
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