CAS RN: 94441-99-3
CAS Name: (E)-1-(2,6-dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-1-(2,6-dihydroxy-4-methoxy-phenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-1-(2,6-dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-[4-methoxy-2,6-bis(oxidanyl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C17H16O5
MOLECULAR WEIGHT: 300.30594
SMILES: COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2O)OC)O
Structure:
CAS RN: 94388-32-6
CAS Name: (Z)-7-[[(2S)-2-acetamido-2-carboxyethyl]thio]-2-[[[(1S)-2,2-dimethylcyclopropyl]-oxomethyl]amino]-2-heptenoic acid
OPENEYE Name: (Z)-7-[(2S)-2-acetamido-2-carboxy-ethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid
IUPAC Name: (Z)-7-[(2S)-2-acetamido-2-carboxyethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid
SYSTEMATIC NAME: (Z)-7-[(2S)-2-acetamido-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropyl]carbonylamino]hept-2-enoic acid
MOLECULAR FORMULA: C18H28N2O6S
MOLECULAR WEIGHT: 400.48972
SMILES: CC(=O)N[C@H](CSCCCC/C=C(/C(=O)O)\NC(=O)[C@H]1CC1(C)C)C(=O)O
Structure:
CAS RN: 94271-08-6
CAS Name: (4E)-4-(ethoxymethylidene)-2-[(E)-2-phenylethenyl]-5-oxazolone
OPENEYE Name: (4E)-4-(ethoxymethylene)-2-[(E)-styryl]oxazol-5-one
IUPAC Name: (4E)-4-(ethoxymethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
SYSTEMATIC NAME: (4E)-4-(ethoxymethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
MOLECULAR FORMULA: C14H13NO3
MOLECULAR WEIGHT: 243.25792
SMILES: CCO/C=C/1\C(=O)OC(=N1)/C=C/C2=CC=CC=C2
Structure:
CAS RN: 94242-71-4
CAS Name: [(E)-5-hydroperoxypent-1-enyl]benzene
OPENEYE Name: [(E)-5-hydroperoxypent-1-enyl]benzene
IUPAC Name: [(E)-5-hydroperoxypent-1-enyl]benzene
SYSTEMATIC NAME: [(E)-5-(dioxidanyl)pent-1-enyl]benzene
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: C1=CC=C(C=C1)/C=C/CCCOO
Structure:
CAS RN: 94235-42-4
CAS Name: 4-[(2S,3S)-3-[(1E,3E,5E,7E,9S)-9-hydroxytetradeca-1,3,5,7-tetraenyl]-2-oxiranyl]butanoic acid
OPENEYE Name: 4-[(2S,3S)-3-[(1E,3E,5E,7E,9S)-9-hydroxytetradeca-1,3,5,7-tetraenyl]oxiran-2-yl]butanoic acid
IUPAC Name: 4-[(2S,3S)-3-[(1E,3E,5E,7E,9S)-9-hydroxytetradeca-1,3,5,7-tetraenyl]oxiran-2-yl]butanoic acid
SYSTEMATIC NAME: 4-[(2S,3S)-3-[(1E,3E,5E,7E,9S)-9-oxidanyltetradeca-1,3,5,7-tetraenyl]oxiran-2-yl]butanoic acid
MOLECULAR FORMULA: C20H30O4
MOLECULAR WEIGHT: 334.4498
SMILES: CCCCC[C@@H](/C=C/C=C/C=C/C=C/[C@H]1[C@@H](O1)CCCC(=O)O)O
Structure:
CAS RN: 64192-56-9
CAS Name: (Z)-7-[(1S,4R,6R)-4-[(E)-oct-6-enyl]-2,3-diazabicyclo[2.2.1]hept-2-en-6-yl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1S,4R,6R)-4-[(E)-oct-6-enyl]-2,3-diazabicyclo[2.2.1]hept-2-en-6-yl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1S,4R,6R)-4-[(E)-oct-6-enyl]-2,3-diazabicyclo[2.2.1]hept-2-en-6-yl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1S,4R,6R)-4-[(E)-oct-6-enyl]-2,3-diazabicyclo[2.2.1]hept-2-en-6-yl]hept-5-enoic acid
MOLECULAR FORMULA: C20H32N2O2
MOLECULAR WEIGHT: 332.48028
SMILES: C/C=C/CCCCC[C@@]12C[C@H]([C@H](C1)N=N2)C/C=C\CCCC(=O)O
Structure:
CAS RN: 64191-69-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H23NO7
MOLECULAR WEIGHT: 389.39912
SMILES: C/C=C/1\C[C@H]([C@@](C(=O)OCC2=C3[C@H](CC(=O)N3C=C2)OC1=O)(C)OC(=O)C)C
Structure:
CAS RN: 94230-52-1
CAS Name: (2S,3S,4R,5S)-5-acetamido-6-[[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-2-[hydroxy-[hydroxy-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl]oxyphosphory
OPENEYE Name: (2S,3S,4R,5S)-5-acetamido-6-[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-2-[hydroxy-[hydroxy-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl]oxy-phosphory
IUPAC Name: (2S,3S,4R,5S)-5-acetamido-6-[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-2-[hydroxy-[hydroxy-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl]oxyphosphoryl
SYSTEMATIC NAME: (2S,3S,4R,5S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-3-oxidanyl-6-[oxidanyl-[oxidanyl-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]pho
MOLECULAR FORMULA: C71H116N2O18P2
MOLECULAR WEIGHT: 1347.630862
SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)OC2[C@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)NC(=O)C)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C
Structure:
CAS RN: 58546-55-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H34O9
MOLECULAR WEIGHT: 514.56416
SMILES: C/C=C(/C)\C(=O)O[C@H]1C2=CC(=C(C(=C2C3=C(C4=C(C=C3C[C@@H]([C@]1(C)O)C)OCO4)OC)OC)OC)OC
Structure:
CAS RN: 62600-36-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H34O9
MOLECULAR WEIGHT: 514.56416
SMILES: C/C=C(/C)\C(=O)O[C@H]1C2=CC(=C(C(=C2C3=C(C4=C(C=C3C[C@@H]([C@]1(C)O)C)OCO4)OC)OC)OC)OC
Structure:
CAS RN: 93984-39-5
CAS Name: 5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(Z,3R)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-nitropentanoic acid
OPENEYE Name: 5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(Z,3R)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-nitro-pentanoic acid
IUPAC Name: 5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(Z,3R)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-nitropentanoic acid
SYSTEMATIC NAME: 5-[(3aR,4R,5R,6aS)-5-oxidanyl-4-[(Z,3R)-3-oxidanyloct-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-nitro-pentanoic acid
MOLECULAR FORMULA: C20H33NO7
MOLECULAR WEIGHT: 399.47852
SMILES: CCCCC[C@H](/C=C\[C@H]1[C@@H](C[C@H]2[C@@H]1CC(O2)C(CCCC(=O)O)[N+](=O)[O-])O)O
Structure:
CAS RN: 93801-58-2
CAS Name: (2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,22,26,31,35-nonamethyl-N-[(4-methylphenyl)methyl]-1-hexatriaconta-2,6,10,14,18,22,26,30,34-nonaenamine
OPENEYE Name: (2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,22,26,31,35-nonamethyl-N-(p-tolylmethyl)hexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-amine
IUPAC Name: (2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,22,26,31,35-nonamethyl-N-[(4-methylphenyl)methyl]hexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-amine
SYSTEMATIC NAME: (2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,22,26,31,35-nonamethyl-N-[(4-methylphenyl)methyl]hexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-amine
MOLECULAR FORMULA: C53H83N
MOLECULAR WEIGHT: 734.23282
SMILES: CC1=CC=C(C=C1)CNC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C(=C/CC/C(=C/CC/C=C(\C)/CCC=C(C)C)/C)/C
Structure:
CAS RN: 93800-35-2
CAS Name: (Z)-7-[(1R,2R,3R)-2-[(E,3R)-3,7-dihydroxy-4,4-dimethyloct-1-enyl]-3-hydroxy-5-oxocyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R)-2-[(E,3R)-3,7-dihydroxy-4,4-dimethyl-oct-1-enyl]-3-hydroxy-5-oxo-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R)-2-[(E,3R)-3,7-dihydroxy-4,4-dimethyloct-1-enyl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R)-2-[(E,3R)-4,4-dimethyl-3,7-bis(oxidanyl)oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C22H36O6
MOLECULAR WEIGHT: 396.51764
SMILES: CC(CCC(C)(C)[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)O)O
Structure:
CAS RN: 93772-31-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H46O9
MOLECULAR WEIGHT: 646.76644
SMILES: CC(=CCCC1(CC(C2=C(C3=C(C(=C2O1)CC=C(C)C)OC45C6CC(C=C4C3=O)C(=O)C5(OC6(C)C)C/C=C(\C)/C(=O)O)O)O)C)C
Structure:
CAS RN: 93705-06-7
CAS Name: (E)-4-[(3,5-dibromo-2-hydroxyphenyl)methoxy]-4-oxo-2-butenoic acid
OPENEYE Name: (E)-4-[(3,5-dibromo-2-hydroxy-phenyl)methoxy]-4-oxo-but-2-enoic acid
IUPAC Name: (E)-4-[(3,5-dibromo-2-hydroxyphenyl)methoxy]-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-4-[[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methoxy]-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C11H8Br2O5
MOLECULAR WEIGHT: 379.98622
SMILES: C1=C(C=C(C(=C1Br)O)COC(=O)/C=C/C(=O)O)Br
Structure:
CAS RN: 93383-17-6
CAS Name: (9E,12E,15E)-octadeca-9,12,15-trienoic acid 2,3-bis(4-amino-1-oxobutoxy)propyl ester
OPENEYE Name: 2,3-bis(4-aminobutanoyloxy)propyl (9E,12E,15E)-octadeca-9,12,15-trienoate
IUPAC Name: 2,3-bis(4-aminobutanoyloxy)propyl (9E,12E,15E)-octadeca-9,12,15-trienoate
SYSTEMATIC NAME: 2,3-bis(4-azanylbutanoyloxy)propyl (9E,12E,15E)-octadeca-9,12,15-trienoate
MOLECULAR FORMULA: C29H50N2O6
MOLECULAR WEIGHT: 522.7171
SMILES: CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OCC(COC(=O)CCCN)OC(=O)CCCN
Structure:
CAS RN: 93349-26-9
CAS Name: (9E,12E,15E)-octadeca-9,12,15-trienoic acid [3-(4-amino-1-oxobutoxy)-2-[(9Z,12E,15E)-1-oxooctadeca-9,12,15-trienoxy]propyl] ester
OPENEYE Name: [3-(4-aminobutanoyloxy)-2-[(9Z,12E,15E)-octadeca-9,12,15-trienoyl]oxy-propyl] (9E,12E,15E)-octadeca-9,12,15-trienoate
IUPAC Name: [3-(4-aminobutanoyloxy)-2-[(9Z,12E,15E)-octadeca-9,12,15-trienoyl]oxypropyl] (9E,12E,15E)-octadeca-9,12,15-trienoate
SYSTEMATIC NAME: [3-(4-azanylbutanoyloxy)-2-[(9Z,12E,15E)-octadeca-9,12,15-trienoyl]oxy-propyl] (9E,12E,15E)-octadeca-9,12,15-trienoate
MOLECULAR FORMULA: C43H71NO6
MOLECULAR WEIGHT: 698.02694
SMILES: CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OCC(COC(=O)CCCN)OC(=O)CCCCCCC/C=C\C/C=C/C/C=C/CC
Structure:
CAS RN: 93265-41-9
CAS Name: 1-[(E)-2-methoxyethenyl]pyrene
OPENEYE Name: 1-[(E)-2-methoxyvinyl]pyrene
IUPAC Name: 1-[(E)-2-methoxyethenyl]pyrene
SYSTEMATIC NAME: 1-[(E)-2-methoxyethenyl]pyrene
MOLECULAR FORMULA: C19H14O
MOLECULAR WEIGHT: 258.31386
SMILES: CO/C=C/C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
Structure:
CAS RN: 93449-27-5
CAS Name: (2E,4E,6E,8E)-3,7-dimethyl-N-(4-sulfamoylphenyl)-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide
OPENEYE Name: (2E,4E,6E,8E)-3,7-dimethyl-N-(4-sulfamoylphenyl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-N-(4-sulfamoylphenyl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SYSTEMATIC NAME: (2E,4E,6E,8E)-3,7-dimethyl-N-(4-sulfamoylphenyl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
MOLECULAR FORMULA: C26H34N2O3S
MOLECULAR WEIGHT: 454.62476
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)/C)/C
Structure:
CAS RN: 63549-62-2
CAS Name: (E)-2-methyl-2-butenoic acid [(10E)-7,9-dihydroxy-10-methyl-3,6-dimethylene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] ester
OPENEYE Name: [(10E)-7,9-dihydroxy-10-methyl-3,6-dimethylene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate
IUPAC Name: [(10E)-7,9-dihydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(10E)-10-methyl-3,6-dimethylidene-7,9-bis(oxidanyl)-2-oxidanylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C20H26O6
MOLECULAR WEIGHT: 362.41684
SMILES: C/C=C(\C)/C(=O)OC1CC(=C)C(CC(/C(=C/C2C1C(=C)C(=O)O2)/C)O)O
Structure:
CAS RN: 81522-11-4
CAS Name: [[5-[2,4-dioxo-5-[(E)-3-[[1-oxo-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentyl]amino]prop-1-enyl]-1-pyrimidinyl]-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
OPENEYE Name: [[5-[2,4-dioxo-5-[(E)-3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]prop-1-enyl]pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
IUPAC Name: [[5-[2,4-dioxo-5-[(E)-3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]prop-1-enyl]pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[5-[2,4-bis(oxidanylidene)-5-[(E)-3-[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]prop-1-enyl]pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C22H34N5O16P3S
MOLECULAR WEIGHT: 749.515543
SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)/C=C/CNC(=O)CCCCC3C4C(CS3)NC(=O)N4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
Structure:
CAS RN: 92999-28-5
CAS Name: [[5-[2,4-dioxo-5-[(E)-3-[[1-oxo-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentyl]amino]prop-1-enyl]-1-pyrimidinyl]-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
OPENEYE Name: [[5-[2,4-dioxo-5-[(E)-3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]prop-1-enyl]pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
IUPAC Name: [[5-[2,4-dioxo-5-[(E)-3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]prop-1-enyl]pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[5-[2,4-bis(oxidanylidene)-5-[(E)-3-[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]prop-1-enyl]pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C22H34N5O16P3S
MOLECULAR WEIGHT: 749.515543
SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)/C=C/CNC(=O)CCCCC3C4C(CS3)NC(=O)N4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
Structure:
CAS RN: 128606-48-4
CAS Name: (E)-3-diethoxyphosphinothioyloxy-2-butenoic acid methyl ester
OPENEYE Name: methyl (E)-3-diethoxyphosphinothioyloxybut-2-enoate
IUPAC Name: methyl (E)-3-diethoxyphosphinothioyloxybut-2-enoate
SYSTEMATIC NAME: methyl (E)-3-diethoxyphosphinothioyloxybut-2-enoate
MOLECULAR FORMULA: C9H17O5PS
MOLECULAR WEIGHT: 268.267041
SMILES: CCOP(=S)(OCC)O/C(=C/C(=O)OC)/C
Structure:
CAS RN: 128439-98-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H12O3S
MOLECULAR WEIGHT: 284.32968
SMILES: COC1=CC2=CC=CC=C2/C(=C\C(=O)O)/C3=C1SC=C3
Structure:
CAS RN: 128434-80-0
CAS Name: (2E)-2-[(4E)-4-[(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-ylidene]-1-cyclohex-2-enylidene]acetaldehyde
OPENEYE Name: (2E)-2-[(4E)-4-[(E)-1-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enylidene]cyclohex-2-en-1-ylidene]acetaldehyde
IUPAC Name: (2E)-2-[(4E)-4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]cyclohex-2-en-1-ylidene]acetaldehyde
SYSTEMATIC NAME: (2E)-2-[(4E)-4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]cyclohex-2-en-1-ylidene]ethanal
MOLECULAR FORMULA: C21H28O
MOLECULAR WEIGHT: 296.44642
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/2\CC/C(=C\C=O)/C=C2)/C
Structure:
CAS RN: 92948-00-0
CAS Name: (Z)-2-methyl-2-butenoic acid [(3R,4R,4aR,5S,6R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,6,10-trihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(E)-2-methyl-1-oxobut-2-enoxy]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] ester
OPENEYE Name: [(3R,4R,4aR,5S,6R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,6,10-trihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(E)-2-methylbut-2-enoyl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] (Z)-2-methylbut-2-enoate
IUPAC Name: [(3R,4R,4aR,5S,6R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,6,10-trihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(E)-2-methylbut-2-enoyl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(3R,4R,4aR,5S,6R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(E)-2-methylbut-2-enoyl]oxy-5,6,10-tris(oxidanyl)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C40H62O8
MOLECULAR WEIGHT: 670.91548
SMILES: C/C=C(\C)/C(=O)O[C@H]1[C@@H](C(C[C@@H]2[C@]1([C@@H]([C@@H]([C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)O)O)CO)(C)C)OC(=O)/C(=C\C)/C
Structure:
CAS RN: 62532-49-4
CAS Name: (E)-2-butenoic acid [(3R,4R,5R)-3,4,5-trihydroxy-6-oxo-1-cyclohexenyl]methyl ester
OPENEYE Name: [(3R,4R,5R)-3,4,5-trihydroxy-6-oxo-cyclohexen-1-yl]methyl (E)-but-2-enoate
IUPAC Name: [(3R,4R,5R)-3,4,5-trihydroxy-6-oxocyclohexen-1-yl]methyl (E)-but-2-enoate
SYSTEMATIC NAME: [(3R,4R,5R)-3,4,5-tris(oxidanyl)-6-oxidanylidene-cyclohexen-1-yl]methyl (E)-but-2-enoate
MOLECULAR FORMULA: C11H14O6
MOLECULAR WEIGHT: 242.22526
SMILES: C/C=C/C(=O)OCC1=C[C@H]([C@H]([C@H](C1=O)O)O)O
Structure:
CAS RN: 61956-81-8
CAS Name: (Z)-7-[(1R,2S)-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxo-1-cyclopent-3-enyl]-5-heptenoic acid methyl ester
OPENEYE Name: methyl (Z)-7-[(1R,2S)-2-[(E,3R)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-5-oxo-cyclopent-3-en-1-yl]hept-5-enoate
IUPAC Name: methyl (Z)-7-[(1R,2S)-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoate
SYSTEMATIC NAME: methyl (Z)-7-[(1R,2S)-2-[(E,3R)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]-5-oxidanylidene-cyclopent-3-en-1-yl]hept-5-enoate
MOLECULAR FORMULA: C23H36O4
MOLECULAR WEIGHT: 376.52954
SMILES: CCCCC(C)(C)[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)OC)O
Structure:
CAS RN: 61799-74-4
CAS Name: (5E)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid methyl ester
OPENEYE Name: methyl (5E)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate
IUPAC Name: methyl (5E)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate
SYSTEMATIC NAME: methyl (5E)-5-[(3aR,4R,5R,6aS)-5-oxidanyl-4-[(E,3S)-3-oxidanyloct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate
MOLECULAR FORMULA: C21H34O5
MOLECULAR WEIGHT: 366.49166
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C\CCCC(=O)OC)/O2)O)O
Structure:
CAS RN: 92751-87-6
CAS Name: (2E,6S)-2,6-dimethyl-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxy-2-oxanyl]oxy]octa-2,7-dienoic acid
OPENEYE Name: (2E,6S)-2,6-dimethyl-6-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-octa-2,7-dienoic acid
IUPAC Name: (2E,6S)-2,6-dimethyl-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyocta-2,7-dienoic acid
SYSTEMATIC NAME: (2E,6S)-2,6-dimethyl-6-[(2S,3R,4S,5S)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-octa-2,7-dienoic acid
MOLECULAR FORMULA: C15H24O7
MOLECULAR WEIGHT: 316.34686
SMILES: C/C(=C\CC[C@@](C)(C=C)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O)/C(=O)O
Structure:
CAS RN: 92751-84-3
CAS Name: (2E)-6-[[3-hydroxy-5-(2-methyl-1-oxobutoxy)-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-2,6-dimethylocta-2,7-dienoic acid
OPENEYE Name: (2E)-6-[3-hydroxy-5-(2-methylbutanoyloxy)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2,6-dimethyl-octa-2,7-dienoic acid
IUPAC Name: (2E)-6-[3-hydroxy-5-(2-methylbutanoyloxy)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6-dimethylocta-2,7-dienoic acid
SYSTEMATIC NAME: (2E)-6-[4-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-(2-methylbutanoyloxy)-3-oxidanyl-oxan-2-yl]oxy-2,6-dimethyl-octa-2,7-dienoic acid
MOLECULAR FORMULA: C26H42O13
MOLECULAR WEIGHT: 562.60388
SMILES: CCC(C)C(=O)OC1COC(C(C1OC2C(C(C(C(O2)CO)O)O)O)O)OC(C)(CC/C=C(\C)/C(=O)O)C=C
Structure:
CAS RN: 92711-55-2
CAS Name: (7E)-7-[(2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-1-cyclopent-3-enylidene]heptanoic acid methyl ester
OPENEYE Name: methyl (7E)-7-[(2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopent-3-en-1-ylidene]heptanoate
IUPAC Name: methyl (7E)-7-[(2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-ylidene]heptanoate
SYSTEMATIC NAME: methyl (7E)-7-[(5S)-2-oxidanylidene-5-[(E,3S)-3-oxidanyloct-1-enyl]cyclopent-3-en-1-ylidene]heptanoate
MOLECULAR FORMULA: C21H32O4
MOLECULAR WEIGHT: 348.47638
SMILES: CCCCC[C@@H](/C=C/[C@H]\1C=CC(=O)/C1=C/CCCCCC(=O)OC)O
Structure:
CAS RN: 91860-73-0
CAS Name: (E)-9-octadecenoic acid [3-[hydroxy-(2-hydroxy-3-mercaptopropoxy)phosphoryl]oxy-2-[(E)-1-oxooctadec-9-enoxy]propyl] ester
OPENEYE Name: [3-[hydroxy-(2-hydroxy-3-sulfanyl-propoxy)phosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate
IUPAC Name: [3-[hydroxy-(2-hydroxy-3-sulfanylpropoxy)phosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate
SYSTEMATIC NAME: [2-[(E)-octadec-9-enoyl]oxy-3-[oxidanyl-(2-oxidanyl-3-sulfanyl-propoxy)phosphoryl]oxy-propyl] (E)-octadec-9-enoate
MOLECULAR FORMULA: C42H79O9PS
MOLECULAR WEIGHT: 791.110021
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COP(=O)(O)OCC(CS)O)OC(=O)CCCCCCC/C=C/CCCCCCCC
Structure:
CAS RN: 91797-46-5
CAS Name: (2Z,3R,4S,5S,6R)-2-ethylidene-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2Z,3R,4S,5S,6R)-2-ethylidene-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2Z,3R,4S,5S,6R)-2-ethylidene-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2Z,3R,4S,5S,6R)-2-ethylidene-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C8H14O5
MOLECULAR WEIGHT: 190.19376
SMILES: C/C=C\1/[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Structure:
CAS RN: 60616-99-1
CAS Name: (12E)-16-ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14-diene-3,20,28-trione
OPENEYE Name: (12E)-16-ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14-diene-3,20,28-trione
IUPAC Name: (12E)-16-ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14-diene-3,20,28-trione
SYSTEMATIC NAME: (12E)-16-ethyl-12-(methoxymethyl)-25,27-dimethyl-6,8,9-tris(oxidanyl)-2-propyl-1-oxa-4-azacyclooctacosa-12,14-diene-3,20,28-trione
MOLECULAR FORMULA: C35H61NO8
MOLECULAR WEIGHT: 623.86074
SMILES: CCCC1C(=O)NCC(CC(C(CC/C(=C\C=CC(CCCC(=O)CCCCC(CC(C(=O)O1)C)C)CC)/COC)O)O)O
Structure:
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