CAS RN: 96989-32-1
CAS Name: (2E,4E,8E,10E)-7-hydroxy-12-methyltrideca-2,4,8,10-tetraenoic acid [2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-5-[[3,4-dihydroxy-5-[1-hydroxy-2-[(2E,4E)-1-oxodeca-2,4-dienoxy]ethyl]-2-oxolanyl]oxy]-3-hydroxy-6-(hydroxymethyl)-4-oxanyl] ester
OPENEYE Name: [5-[5-[2-[(2E,4E)-deca-2,4-dienoyl]oxy-1-hydroxy-ethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] (2E,4E,8E,10E)-7-hydroxy-12-methyl-trideca-2,4,8,10-tetraenoate
IUPAC Name: [5-[5-[2-[(2E,4E)-deca-2,4-dienoyl]oxy-1-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)oxan-4-yl] (2E,4E,8E,10E)-7-hydroxy-12-methyltrideca-2,4,8,10-tetraenoate
SYSTEMATIC NAME: [3-[5-[2-[(2E,4E)-deca-2,4-dienoyl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[2-(hydroxymethyl)-4,6-bis(oxidanyl)phenyl]-5-oxidanyl-oxan-4-yl] (2E,4E,8E,10E)-12-methyl-7-oxidanyl-trideca-2,4,8,10-tetraenoate
MOLECULAR FORMULA: C43H60O16
MOLECULAR WEIGHT: 832.9269
SMILES: CCCCC/C=C/C=C/C(=O)OCC(C1C(C(C(O1)OC2C(OC(C(C2OC(=O)/C=C/C=C/CC(/C=C/C=C/C(C)C)O)O)C3=C(C=C(C=C3CO)O)O)CO)O)O)O
Structure:
CAS RN: 96920-07-9
CAS Name: (2S)-2-amino-3-[[(E)-4-methoxy-1,4-dioxobut-2-enyl]amino]propanoic acid
OPENEYE Name: (2S)-2-amino-3-[[(E)-4-methoxy-4-oxo-but-2-enoyl]amino]propanoic acid
IUPAC Name: (2S)-2-amino-3-[[(E)-4-methoxy-4-oxobut-2-enoyl]amino]propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-[[(E)-4-methoxy-4-oxidanylidene-but-2-enoyl]amino]propanoic acid
MOLECULAR FORMULA: C8H12N2O5
MOLECULAR WEIGHT: 216.19128
SMILES: COC(=O)/C=C/C(=O)NC[C@@H](C(=O)O)N
Structure:
CAS RN: 134796-38-6
CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [(2S,3R,4R,5R)-3,4-dihydroxy-5-methoxy-2-oxolanyl]methyl ester
OPENEYE Name: [(2S,3R,4R,5R)-3,4-dihydroxy-5-methoxy-tetrahydrofuran-2-yl]methyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
IUPAC Name: [(2S,3R,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2S,3R,4R,5R)-5-methoxy-3,4-bis(oxidanyl)oxolan-2-yl]methyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C16H20O8
MOLECULAR WEIGHT: 340.3252
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H](O1)COC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O)O
Structure:
CAS RN: 134678-59-4
CAS Name: (2E,4E,6E,10E)-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-2,4,6,10,14-pentaenoic acid
OPENEYE Name: (2E,4E,6E,10E)-7-(hydroxymethyl)-3,11,15-trimethyl-hexadeca-2,4,6,10,14-pentaenoic acid
IUPAC Name: (2E,4E,6E,10E)-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-2,4,6,10,14-pentaenoic acid
SYSTEMATIC NAME: (2E,4E,6E,10E)-7-(hydroxymethyl)-3,11,15-trimethyl-hexadeca-2,4,6,10,14-pentaenoic acid
MOLECULAR FORMULA: C20H30O3
MOLECULAR WEIGHT: 318.4504
SMILES: CC(=CCC/C(=C/CC/C(=C\C=C\C(=C\C(=O)O)\C)/CO)/C)C
Structure:
CAS RN: 96913-12-1
CAS Name: (E)-9-octadecenoic acid [2-(11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] ester
OPENEYE Name: [2-(11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] (E)-octadec-9-enoate
IUPAC Name: [2-(11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] (E)-octadec-9-enoate
SYSTEMATIC NAME: [2-(10,13-dimethyl-11-oxidanyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxidanylidene-ethyl] (E)-octadec-9-enoate
MOLECULAR FORMULA: C39H62O5
MOLECULAR WEIGHT: 610.90658
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC(=O)C1CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C
Structure:
CAS RN: 96895-25-9
CAS Name: 4-[(1E,3R)-3-(4-hydroxyphenyl)penta-1,4-dienyl]phenol
OPENEYE Name: 4-[(1E,3R)-3-(4-hydroxyphenyl)penta-1,4-dienyl]phenol
IUPAC Name: 4-[(1E,3R)-3-(4-hydroxyphenyl)penta-1,4-dienyl]phenol
SYSTEMATIC NAME: 4-[(1E,3R)-3-(4-hydroxyphenyl)penta-1,4-dienyl]phenol
MOLECULAR FORMULA: C17H16O2
MOLECULAR WEIGHT: 252.30774
SMILES: C=C[C@H](/C=C/C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
Structure:
CAS RN: 96888-50-5
CAS Name: 2-methyl-5-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-methyl-5-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]-1,4-benzoquinone
IUPAC Name: 2-methyl-5-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-methyl-5-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C27H44O2
MOLECULAR WEIGHT: 400.63706
SMILES: CC1=CC(=O)C(=CC1=O)C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C
Structure:
CAS RN: 96829-59-3
CAS Name: (2S)-2-formamido-3-methylpentanoic acid [(2S,4E,7E)-1-(3-hexyl-4-oxo-2-oxetanyl)trideca-4,7-dien-2-yl] ester
OPENEYE Name: [(1S,3E,6E)-1-[(3-hexyl-4-oxo-oxetan-2-yl)methyl]dodeca-3,6-dienyl] (2S)-2-formamido-3-methyl-pentanoate
IUPAC Name: [(2S,4E,7E)-1-(3-hexyl-4-oxooxetan-2-yl)trideca-4,7-dien-2-yl] (2S)-2-formamido-3-methylpentanoate
SYSTEMATIC NAME: [(2S,4E,7E)-1-(3-hexyl-4-oxidanylidene-oxetan-2-yl)trideca-4,7-dien-2-yl] (2S)-2-formamido-3-methyl-pentanoate
MOLECULAR FORMULA: C29H49NO5
MOLECULAR WEIGHT: 491.70306
SMILES: CCCCCCC1C(OC1=O)C[C@H](C/C=C/C/C=C/CCCCC)OC(=O)[C@H](C(C)CC)NC=O
Structure:
CAS RN: 96827-80-4
CAS Name: (2S,3E,6E,8S)-8-[(3S,7S,8R,9R)-7-hydroxy-3-[(1S,3R,6S,9R)-3-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyl-2-oxanyl]-6-[[(2R,5S,6R)-5-methoxy-6-methyl-2-oxanyl]oxymethyl]-1-methyl-4,10-dioxaspiro[4.5]decan-9-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-2,4,
OPENEYE Name: (2S,3E,6E,8S)-8-[(3S,7S,8R,9R)-7-hydroxy-3-[(1S,3R,6S,9R)-3-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyl-tetrahydropyran-2-yl]-6-[[(2R,5S,6R)-5-methoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-1-methyl-4,10-dioxaspiro[4.5]decan-9-yl]-3,8-dimethyl-4,10-dioxasp
IUPAC Name: (2S,3E,6E,8S)-8-[(3S,7S,8R,9R)-7-hydroxy-3-[(1S,3R,6S,9R)-3-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-6-[[(2R,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxymethyl]-1-methyl-4,10-dioxaspiro[4.5]decan-9-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-2,4,
SYSTEMATIC NAME: (2S,3E,6E,8S)-8-[(3S,7S,8R,9R)-3-[(1S,3R,6S,9R)-6-[[(2R,5S,6R)-5-methoxy-6-methyl-oxan-2-yl]oxymethyl]-1-methyl-3-[(2S,3S,5R,6S)-3,5,6-trimethyl-6-oxidanyl-oxan-2-yl]-4,10-dioxaspiro[4.5]decan-9-yl]-3,8-dimethyl-7-oxidanyl-4,10-dioxaspiro[4.5]decan-9-yl]-
MOLECULAR FORMULA: C47H76O13
MOLECULAR WEIGHT: 849.09854
SMILES: C[C@H]1C[C@H]([C@@](O[C@@H]1[C@H]2C[C@@H](C3(O2)[C@@H](CC[C@@H](O3)[C@@]4(CCC5(O4)C[C@@H]([C@H]([C@H](O5)[C@@H](C)/C=C(\C)/C(=O)/C(=C/[C@H](C)C(=O)O)/C)C)O)C)CO[C@H]6CC[C@@H]([C@H](O6)C)OC)C)(C)O)C
Structure:
CAS RN: 96744-62-6
CAS Name: 3-[(E)-[5-hydroxy-4-(3-hydroxynon-1-ynyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]methyl]benzoic acid
OPENEYE Name: 3-[(E)-[5-hydroxy-4-(3-hydroxynon-1-ynyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]methyl]benzoic acid
IUPAC Name: 3-[(E)-[5-hydroxy-4-(3-hydroxynon-1-ynyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]methyl]benzoic acid
SYSTEMATIC NAME: 3-[(E)-[5-oxidanyl-4-(3-oxidanylnon-1-ynyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]methyl]benzoic acid
MOLECULAR FORMULA: C24H30O5
MOLECULAR WEIGHT: 398.492
SMILES: CCCCCCC(C#CC1C(CC2C1C/C(=C\C3=CC(=CC=C3)C(=O)O)/O2)O)O
Structure:
CAS RN: 96687-23-9
CAS Name: (E)-9-octadecenoic acid [(2R)-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-[(E)-1-oxooctadec-9-enoxy]propyl] ester
OPENEYE Name: [(2R)-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate
IUPAC Name: [(2R)-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate
SYSTEMATIC NAME: [(2R)-3-[2-(methylamino)ethoxy-oxidanyl-phosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate
MOLECULAR FORMULA: C42H80NO8P
MOLECULAR WEIGHT: 758.060261
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC)OC(=O)CCCCCCC/C=C/CCCCCCCC
Structure:
CAS RN: 107742-04-1
CAS Name: (E)-2,5-diamino-2-(fluoromethyl)-3-pentenoic acid methyl ester
OPENEYE Name: methyl (E)-2,5-diamino-2-(fluoromethyl)pent-3-enoate
IUPAC Name: methyl (E)-2,5-diamino-2-(fluoromethyl)pent-3-enoate
SYSTEMATIC NAME: methyl (E)-2,5-bis(azanyl)-2-(fluoranylmethyl)pent-3-enoate
MOLECULAR FORMULA: C7H13FN2O2
MOLECULAR WEIGHT: 176.188723
SMILES: COC(=O)C(CF)(/C=C/CN)N
Structure:
CAS RN: 96681-91-3
CAS Name: (E)-2,5-diamino-2-(fluoromethyl)-3-pentenoic acid methyl ester
OPENEYE Name: methyl (E)-2,5-diamino-2-(fluoromethyl)pent-3-enoate
IUPAC Name: methyl (E)-2,5-diamino-2-(fluoromethyl)pent-3-enoate
SYSTEMATIC NAME: methyl (E)-2,5-bis(azanyl)-2-(fluoranylmethyl)pent-3-enoate
MOLECULAR FORMULA: C7H13FN2O2
MOLECULAR WEIGHT: 176.188723
SMILES: COC(=O)C(CF)(/C=C/CN)N
Structure:
CAS RN: 96627-71-3
CAS Name: (E)-2-butenedioic acid; N-[2-(2,4-dimethyl-1-pyrrolidinyl)ethyl]-2-naphthalenesulfonamide
OPENEYE Name: N-[2-(2,4-dimethylpyrrolidin-1-yl)ethyl]naphthalene-2-sulfonamide; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N-[2-(2,4-dimethylpyrrolidin-1-yl)ethyl]naphthalene-2-sulfonamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N-[2-(2,4-dimethylpyrrolidin-1-yl)ethyl]naphthalene-2-sulfonamide
MOLECULAR FORMULA: C22H28N2O6S
MOLECULAR WEIGHT: 448.53252
SMILES: CC1CC(N(C1)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 96617-52-6
CAS Name: 2-[2-[(2E,6E)-3,7-dimethyl-9-[(1S,6R)-1,2,6-trimethyl-1-cyclohex-2-enyl]nona-2,6-dienyl]sulfonylethyl]guanidine
OPENEYE Name: 2-[2-[(2E,6E)-3,7-dimethyl-9-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]nona-2,6-dienyl]sulfonylethyl]guanidine
IUPAC Name: 2-[2-[(2E,6E)-3,7-dimethyl-9-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]nona-2,6-dienyl]sulfonylethyl]guanidine
SYSTEMATIC NAME: 2-[2-[(2E,6E)-3,7-dimethyl-9-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]nona-2,6-dienyl]sulfonylethyl]guanidine
MOLECULAR FORMULA: C23H41N3O2S
MOLECULAR WEIGHT: 423.65554
SMILES: C[C@@H]1CCC=C([C@@]1(C)CC/C(=C/CC/C(=C/CS(=O)(=O)CCN=C(N)N)/C)/C)C
Structure:
CAS RN: 96616-70-5
CAS Name: 1-[(Z)-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-ylidene]methyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-2-ol
OPENEYE Name: 1-[(Z)-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-ylidene]methyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-2-ol
IUPAC Name: 1-[(Z)-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-ylidene]methyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-2-ol
SYSTEMATIC NAME: 1-[(Z)-[7a-methyl-1-(6-methyl-6-oxidanyl-heptan-2-yl)-2,3,3a,4,6,7-hexahydro-1H-inden-5-ylidene]methyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-2-ol
MOLECULAR FORMULA: C29H48O2
MOLECULAR WEIGHT: 428.69022
SMILES: CC(CCCC(C)(C)O)C1CCC2C1(CC/C(=C/C3C(CCC4=C3CCCC4)O)/C2)C
Structure:
CAS RN: 96475-98-8
CAS Name: (4E,6E,8E,10E,14E,16E)-3-[[3,5-dihydroxy-6-methyl-4-[[6-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-1-oxohexyl]amino]-2-oxanyl]oxy]-19,25,27,29,32,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,14,16-h
OPENEYE Name: (4E,6E,8E,10E,14E,16E)-3-[3,5-dihydroxy-6-methyl-4-[6-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoylamino]tetrahydropyran-2-yl]oxy-19,25,27,29,32,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,14,
IUPAC Name: (4E,6E,8E,10E,14E,16E)-3-[3,5-dihydroxy-6-methyl-4-[6-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoylamino]oxan-2-yl]oxy-19,25,27,29,32,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,14,16-hexaene-
SYSTEMATIC NAME: (4E,6E,8E,10E,14E,16E)-18,20,21-trimethyl-3-[6-methyl-4-[6-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoylamino]-3,5-bis(oxidanyl)oxan-2-yl]oxy-19,25,27,29,32,33,35,37-octakis(oxidanyl)-23-oxidanylidene-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6
MOLECULAR FORMULA: C60H89N5O21
MOLECULAR WEIGHT: 1216.36956
SMILES: CC1/C=C/C=C/CC/C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(C(CCC(CC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)NC(=O)CCCCCN(C)C4=CC=C(C5=NON=C45)[N+](=O)[O-])O
Structure:
CAS RN: 96441-29-1
CAS Name: 3-[(E)-2-nitroethenyl]benzoic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 3-[(E)-2-nitrovinyl]benzoate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[(E)-2-nitroethenyl]benzoate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 3-[(E)-2-nitroethenyl]benzoate
MOLECULAR FORMULA: C13H10N2O6
MOLECULAR WEIGHT: 290.2283
SMILES: C1CC(=O)N(C1=O)OC(=O)C2=CC=CC(=C2)/C=C/[N+](=O)[O-]
Structure:
CAS RN: 96391-64-9
CAS Name: (9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C28H46O
MOLECULAR WEIGHT: 398.66424
SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CCC4[C@@]3(CCC(C4)O)C)C
Structure:
CAS RN: 96355-92-9
CAS Name: (4E)-4-[(2,6-dichlorophenyl)methylidene]-3-methyl-1H-pyridazin-6-one
OPENEYE Name: (4E)-4-[(2,6-dichlorophenyl)methylene]-3-methyl-1H-pyridazin-6-one
IUPAC Name: (4E)-4-[(2,6-dichlorophenyl)methylidene]-3-methyl-1H-pyridazin-6-one
SYSTEMATIC NAME: (4E)-4-[[2,6-bis(chloranyl)phenyl]methylidene]-3-methyl-1H-pyridazin-6-one
MOLECULAR FORMULA: C12H10Cl2N2O
MOLECULAR WEIGHT: 269.1266
SMILES: CC\1=NNC(=O)C/C1=C\C2=C(C=CC=C2Cl)Cl
Structure:
CAS RN: 96332-05-7
CAS Name: (7E,10E,12E)-14-hydroxynonadeca-7,10,12-trienoic acid
OPENEYE Name: (7E,10E,12E)-14-hydroxynonadeca-7,10,12-trienoic acid
IUPAC Name: (7E,10E,12E)-14-hydroxynonadeca-7,10,12-trienoic acid
SYSTEMATIC NAME: (7E,10E,12E)-14-oxidanylnonadeca-7,10,12-trienoic acid
MOLECULAR FORMULA: C19H32O3
MOLECULAR WEIGHT: 308.45558
SMILES: CCCCCC(/C=C/C=C/C/C=C/CCCCCC(=O)O)O
Structure:
CAS RN: 133983-28-5
CAS Name: 1-naphthalenecarboxylic acid [(6E,9E,12E,15E)-20-methoxy-20-oxoeicosa-6,9,12,15-tetraen-2-yl] ester
OPENEYE Name: [(5E,8E,11E,14E)-19-methoxy-1-methyl-19-oxo-nonadeca-5,8,11,14-tetraenyl] naphthalene-1-carboxylate
IUPAC Name: [(6E,9E,12E,15E)-20-methoxy-20-oxoicosa-6,9,12,15-tetraen-2-yl] naphthalene-1-carboxylate
SYSTEMATIC NAME: [(6E,9E,12E,15E)-20-methoxy-20-oxidanylidene-icosa-6,9,12,15-tetraen-2-yl] naphthalene-1-carboxylate
MOLECULAR FORMULA: C32H40O4
MOLECULAR WEIGHT: 488.6576
SMILES: CC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OC)OC(=O)C1=CC=CC2=CC=CC=C21
Structure:
CAS RN: 133983-27-4
CAS Name: 1-naphthalenecarboxylic acid [(6E,9E,12E,15E)-20-methoxy-20-oxoeicosa-6,9,12,15-tetraen-3-yl] ester
OPENEYE Name: [(4E,7E,10E,13E)-1-ethyl-18-methoxy-18-oxo-octadeca-4,7,10,13-tetraenyl] naphthalene-1-carboxylate
IUPAC Name: [(6E,9E,12E,15E)-20-methoxy-20-oxoicosa-6,9,12,15-tetraen-3-yl] naphthalene-1-carboxylate
SYSTEMATIC NAME: [(6E,9E,12E,15E)-20-methoxy-20-oxidanylidene-icosa-6,9,12,15-tetraen-3-yl] naphthalene-1-carboxylate
MOLECULAR FORMULA: C32H40O4
MOLECULAR WEIGHT: 488.6576
SMILES: CCC(CC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OC)OC(=O)C1=CC=CC2=CC=CC=C21
Structure:
CAS RN: 133933-39-8
CAS Name: (E)-5-iodo-1-(2-nitro-1-imidazolyl)-4-penten-2-ol
OPENEYE Name: (E)-5-iodo-1-(2-nitroimidazol-1-yl)pent-4-en-2-ol
IUPAC Name: (E)-5-iodo-1-(2-nitroimidazol-1-yl)pent-4-en-2-ol
SYSTEMATIC NAME: (E)-5-iodanyl-1-(2-nitroimidazol-1-yl)pent-4-en-2-ol
MOLECULAR FORMULA: C8H10IN3O3
MOLECULAR WEIGHT: 323.08777
SMILES: C1=CN(C(=N1)[N+](=O)[O-])CC(C/C=C/I)O
Structure:
CAS RN: 96314-49-7
CAS Name: 4-[(1R)-2-[(E)-2-(2-naphthalenyl)ethenyl]cyclopropyl]butanoic acid
OPENEYE Name: 4-[(1R)-2-[(E)-2-(2-naphthyl)vinyl]cyclopropyl]butanoic acid
IUPAC Name: 4-[(1R)-2-[(E)-2-naphthalen-2-ylethenyl]cyclopropyl]butanoic acid
SYSTEMATIC NAME: 4-[(1R)-2-[(E)-2-naphthalen-2-ylethenyl]cyclopropyl]butanoic acid
MOLECULAR FORMULA: C19H20O2
MOLECULAR WEIGHT: 280.3609
SMILES: C1[C@H](C1/C=C/C2=CC3=CC=CC=C3C=C2)CCCC(=O)O
Structure:
CAS RN: 96300-95-7
CAS Name: phosphoric acid 8-methylnonyl diphenyl ester; phosphoric acid triphenyl ester
OPENEYE Name: 8-methylnonyl diphenyl phosphate; triphenyl phosphate
IUPAC Name: 8-methylnonyl diphenyl phosphate; triphenyl phosphate
SYSTEMATIC NAME: 8-methylnonyl diphenyl phosphate; triphenyl phosphate
MOLECULAR FORMULA: C40H46O8P2
MOLECULAR WEIGHT: 716.735962
SMILES: CC(C)CCCCCCCOP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2.C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
Structure:
CAS RN: 96244-85-8
CAS Name: (5Z)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,5E)-3-hydroxyocta-1,5-dienyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
OPENEYE Name: (5Z)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,5E)-3-hydroxyocta-1,5-dienyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
IUPAC Name: (5Z)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,5E)-3-hydroxyocta-1,5-dienyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
SYSTEMATIC NAME: (5Z)-5-[(3aS,4R,5R,6aS)-5-oxidanyl-4-[(1E,3S,5E)-3-oxidanylocta-1,5-dienyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
MOLECULAR FORMULA: C21H32O4
MOLECULAR WEIGHT: 348.47638
SMILES: CC/C=C/C[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C\CCCC(=O)O)/C2)O)O
Structure:
CAS RN: 96087-34-2
CAS Name: 4-[3-[[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]methyl]-2-oxiranyl]butanoic acid
OPENEYE Name: 4-[3-[[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]methyl]oxiran-2-yl]butanoic acid
IUPAC Name: 4-[3-[[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]methyl]oxiran-2-yl]butanoic acid
SYSTEMATIC NAME: 4-[3-[[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]methyl]oxiran-2-yl]butanoic acid
MOLECULAR FORMULA: C20H34O6
MOLECULAR WEIGHT: 370.48036
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CC2C(O2)CCCC(=O)O)O)O)O
Structure:
CAS RN: 96053-97-3
CAS Name: 3-hydroxy-2-[[2-[[14-methyl-3-[(E)-13-methyl-1-oxotetradec-4-enoxy]-1-oxopentadecyl]amino]-1-oxoethyl]amino]propanoic acid
OPENEYE Name: 3-hydroxy-2-[[2-[[14-methyl-3-[(E)-13-methyltetradec-4-enoyl]oxy-pentadecanoyl]amino]acetyl]amino]propanoic acid
IUPAC Name: 3-hydroxy-2-[[2-[[14-methyl-3-[(E)-13-methyltetradec-4-enoyl]oxypentadecanoyl]amino]acetyl]amino]propanoic acid
SYSTEMATIC NAME: 2-[2-[[14-methyl-3-[(E)-13-methyltetradec-4-enoyl]oxy-pentadecanoyl]amino]ethanoylamino]-3-oxidanyl-propanoic acid
MOLECULAR FORMULA: C36H66N2O7
MOLECULAR WEIGHT: 638.91844
SMILES: CC(C)CCCCCCCCCCC(CC(=O)NCC(=O)NC(CO)C(=O)O)OC(=O)CC/C=C/CCCCCCCC(C)C
Structure:
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