CAS RN: 125721-82-6
CAS Name: 2,6-dimethyl-4-[(E)-2-thiophen-2-ylethenyl]phenol
OPENEYE Name: 2,6-dimethyl-4-[(E)-2-(2-thienyl)vinyl]phenol
IUPAC Name: 2,6-dimethyl-4-[(E)-2-thiophen-2-ylethenyl]phenol
SYSTEMATIC NAME: 2,6-dimethyl-4-[(E)-2-thiophen-2-ylethenyl]phenol
MOLECULAR FORMULA: C14H14OS
MOLECULAR WEIGHT: 230.32536
SMILES: CC1=CC(=CC(=C1O)C)/C=C/C2=CC=CS2
Structure:
CAS RN: 125535-05-9
CAS Name: 2-[(1E,5E,7E,11E)-3-hydroxy-3,7,9,11-tetramethyl-10-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]trideca-1,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
OPENEYE Name: 2-[(1E,5E,7E,11E)-3-hydroxy-3,7,9,11-tetramethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-trideca-1,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
IUPAC Name: 2-[(1E,5E,7E,11E)-3-hydroxy-3,7,9,11-tetramethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytrideca-1,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
SYSTEMATIC NAME: 2-[(1E,5E,7E,11E)-10-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,7,9,11-tetramethyl-3-oxidanyl-trideca-1,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
MOLECULAR FORMULA: C31H47NO10
MOLECULAR WEIGHT: 593.70558
SMILES: C/C=C(\C)/C(C(C)/C=C(\C)/C=C/CC(C)(/C=C/C1=C(C(=O)C(=C(N1)OC)OC)C)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Structure:
CAS RN: 125591-38-0
CAS Name: 2-[(1E,5E,7E,11E)-3-hydroxy-3,7,9,11-tetramethyl-10-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]trideca-1,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
OPENEYE Name: 2-[(1E,5E,7E,11E)-3-hydroxy-3,7,9,11-tetramethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-trideca-1,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
IUPAC Name: 2-[(1E,5E,7E,11E)-3-hydroxy-3,7,9,11-tetramethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytrideca-1,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
SYSTEMATIC NAME: 2-[(1E,5E,7E,11E)-10-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,7,9,11-tetramethyl-3-oxidanyl-trideca-1,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
MOLECULAR FORMULA: C31H47NO10
MOLECULAR WEIGHT: 593.70558
SMILES: C/C=C(\C)/C(C(C)/C=C(\C)/C=C/CC(C)(/C=C/C1=C(C(=O)C(=C(N1)OC)OC)C)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Structure:
CAS RN: 125563-95-3
CAS Name: (E)-5-(diethylamino)-1-[4-[(E)-5-(diethylamino)-4,4-dimethyl-3-oxopent-1-enyl]phenyl]-4,4-dimethyl-1-penten-3-one dihydrobromide
OPENEYE Name: (E)-5-(diethylamino)-1-[4-[(E)-5-(diethylamino)-4,4-dimethyl-3-oxo-pent-1-enyl]phenyl]-4,4-dimethyl-pent-1-en-3-one dihydrobromide
IUPAC Name: (E)-5-(diethylamino)-1-[4-[(E)-5-(diethylamino)-4,4-dimethyl-3-oxopent-1-enyl]phenyl]-4,4-dimethylpent-1-en-3-one dihydrobromide
SYSTEMATIC NAME: (E)-5-(diethylamino)-1-[4-[(E)-5-(diethylamino)-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]phenyl]-4,4-dimethyl-pent-1-en-3-one dihydrobromide
MOLECULAR FORMULA: C28H46Br2N2O2
MOLECULAR WEIGHT: 602.48504
SMILES: CCN(CC(C(=O)/C=C/C1=CC=C(C=C1)/C=C/C(=O)C(CN(CC)CC)(C)C)(C)C)CC.Br.Br
Structure:
CAS RN: 16655-99-5
CAS Name: (E)-3-(2-furanyl)-2-propenoic acid phosphono ester
OPENEYE Name: phosphono (E)-3-(2-furyl)prop-2-enoate
IUPAC Name: phosphono (E)-3-(furan-2-yl)prop-2-enoate
SYSTEMATIC NAME: phosphono (E)-3-(furan-2-yl)prop-2-enoate
MOLECULAR FORMULA: C7H7O6P
MOLECULAR WEIGHT: 218.100641
SMILES: C1=COC(=C1)/C=C/C(=O)OP(=O)(O)O
Structure:
CAS RN: 100477-88-1
CAS Name: (E)-N-(2-hydroxyethyl)-3-(methylthio)-2-propenamide
OPENEYE Name: (E)-N-(2-hydroxyethyl)-3-methylsulfanyl-prop-2-enamide
IUPAC Name: (E)-N-(2-hydroxyethyl)-3-methylsulfanylprop-2-enamide
SYSTEMATIC NAME: (E)-N-(2-hydroxyethyl)-3-methylsulfanyl-prop-2-enamide
MOLECULAR FORMULA: C6H11NO2S
MOLECULAR WEIGHT: 161.22204
SMILES: CS/C=C/C(=O)NCCO
Structure:
CAS RN: 99124-76-2
CAS Name: (2S)-2-amino-6-[[(E)-3-oxoprop-1-enyl]amino]hexanoic acid
OPENEYE Name: (2S)-2-amino-6-[[(E)-3-oxoprop-1-enyl]amino]hexanoic acid
IUPAC Name: (2S)-2-amino-6-[[(E)-3-oxoprop-1-enyl]amino]hexanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-6-[[(E)-3-oxidanylideneprop-1-enyl]amino]hexanoic acid
MOLECULAR FORMULA: C9H16N2O3
MOLECULAR WEIGHT: 200.23494
SMILES: C(CCN/C=C/C=O)C[C@@H](C(=O)O)N
Structure:
CAS RN: 125467-37-0
CAS Name: (7E,9E,11E,14E)-5-hydroxy-6-mercaptoeicosa-7,9,11,14-tetraenoic acid
OPENEYE Name: (7E,9E,11E,14E)-5-hydroxy-6-sulfanyl-icosa-7,9,11,14-tetraenoic acid
IUPAC Name: (7E,9E,11E,14E)-5-hydroxy-6-sulfanylicosa-7,9,11,14-tetraenoic acid
SYSTEMATIC NAME: (7E,9E,11E,14E)-5-oxidanyl-6-sulfanyl-icosa-7,9,11,14-tetraenoic acid
MOLECULAR FORMULA: C20H32O3S
MOLECULAR WEIGHT: 352.53128
SMILES: CCCCC/C=C/C/C=C/C=C/C=C/C(C(CCCC(=O)O)O)S
Structure:
CAS RN: 125440-31-5
CAS Name: phosphoric acid bis[[5-[5-[(E)-2-bromoethenyl]-2,4-dioxo-1-pyrimidinyl]-3-hydroxy-2-oxolanyl]methyl] (4-methylsulfonylphenyl) ester
OPENEYE Name: bis[[5-[5-[(E)-2-bromovinyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl] (4-methylsulfonylphenyl) phosphate
IUPAC Name: bis[[5-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl] (4-methylsulfonylphenyl) phosphate
SYSTEMATIC NAME: bis[[5-[5-[(E)-2-bromanylethenyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl] (4-methylsulfonylphenyl) phosphate
MOLECULAR FORMULA: C29H31Br2N4O14PS
MOLECULAR WEIGHT: 882.421601
SMILES: CS(=O)(=O)C1=CC=C(C=C1)OP(=O)(OCC2OC(CC2O)N3C(=O)NC(=O)C(=C3)/C=C/Br)OCC4OC(CC4O)N5C(=O)NC(=O)C(=C5)/C=C/Br
Structure:
CAS RN: 125379-01-3
CAS Name: (E)-4-(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-4-oxo-2-butenoic acid
OPENEYE Name: (E)-4-(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-4-oxo-but-2-enoic acid
IUPAC Name: (E)-4-(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-4-[4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracen-9-yl]-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C18H12O6
MOLECULAR WEIGHT: 324.28428
SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C(=O)/C=C/C(=O)O)C=CC=C3O
Structure:
CAS RN: 125365-10-8
CAS Name: [(2R,3R,4R,5S,6R)-6-[(2E)-penta-2,4-dienyl]-3,4-bis(phenylmethoxy)-5-[[2-(phenylmethyl)phenyl]methoxy]-2-oxanyl]methanol
OPENEYE Name: [(2R,3R,4R,5S,6R)-3,4-dibenzyloxy-5-[(2-benzylphenyl)methoxy]-6-[(2E)-penta-2,4-dienyl]tetrahydropyran-2-yl]methanol
IUPAC Name: [(2R,3R,4R,5S,6R)-5-[(2-benzylphenyl)methoxy]-6-[(2E)-penta-2,4-dienyl]-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
SYSTEMATIC NAME: [(2R,3R,4R,5S,6R)-6-[(2E)-penta-2,4-dienyl]-3,4-bis(phenylmethoxy)-5-[[2-(phenylmethyl)phenyl]methoxy]oxan-2-yl]methanol
MOLECULAR FORMULA: C39H42O5
MOLECULAR WEIGHT: 590.74778
SMILES: C=C/C=C/C[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4CC5=CC=CC=C5
Structure:
CAS RN: 125310-01-2
CAS Name: (2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(10R,12S,13S,14R,17S)-12-hydroxy-17-[(E,2S)-5-hydroxy-6-methyl-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hept-3-en-2-yl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,1
OPENEYE Name: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(10R,12S,13S,14R,17S)-12-hydroxy-17-[(E,1S)-4-hydroxy-1,5-dimethyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hex-2-enyl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,1
IUPAC Name: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(10R,12S,13S,14R,17S)-12-hydroxy-17-[(E,2S)-5-hydroxy-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-3-en-2-yl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,1
SYSTEMATIC NAME: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[[(10R,12S,13S,14R,17S)-17-[(E,2S)-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-5-oxidanyl-hept-3-en-2-yl]-4,4,10,14-tetramethyl-12-oxidanyl-1,2
MOLECULAR FORMULA: C47H80O19
MOLECULAR WEIGHT: 949.1267
SMILES: CC(C)C(/C=C/[C@@](C)([C@H]1CC[C@]2([C@H]1[C@H](CC3C2CCC4[C@@]3(CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O
Structure:
CAS RN: 125310-00-1
CAS Name: (2S,3R,4R,5R,6S)-2-[[(2R,3R,4S,5S,6R)-2-[[(6R,10R,12S,14R,17S)-3,12-dihydroxy-17-[(E,2S)-6-hydroxy-6-methyl-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hept-4-en-2-yl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetrad
OPENEYE Name: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(6R,10R,12S,14R,17S)-3,12-dihydroxy-17-[(E,1S)-5-hydroxy-1,5-dimethyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hex-3-enyl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,
IUPAC Name: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(6R,10R,12S,14R,17S)-3,12-dihydroxy-17-[(E,2S)-6-hydroxy-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-4-en-2-yl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradeca
SYSTEMATIC NAME: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[[(6R,10R,12S,14R,17S)-17-[(E,2S)-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-6-oxidanyl-hept-4-en-2-yl]-4,4,10,14-tetramethyl-3,12-bis(oxidanyl)-1,2,3,5,6,7,8,9
MOLECULAR FORMULA: C47H80O19
MOLECULAR WEIGHT: 949.1267
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@@H]3CC4C(C[C@@H](C5[C@@]4(CC[C@@H]5[C@](C)(C/C=C/C(C)(C)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)[C@@]7(C3C(C(CC7)O)(C)C)C)CO)O)O)O)O)O
Structure:
CAS RN: 125309-99-1
CAS Name: (2S,3R,4R,5R,6S)-2-[[(2R,3R,4S,5S,6R)-2-[[(6R,10R,12S,14R,17S)-3,12-dihydroxy-17-[(E,2S)-5-hydroxy-6-methyl-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hept-3-en-2-yl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetrad
OPENEYE Name: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(6R,10R,12S,14R,17S)-3,12-dihydroxy-17-[(E,1S)-4-hydroxy-1,5-dimethyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hex-2-enyl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,
IUPAC Name: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(6R,10R,12S,14R,17S)-3,12-dihydroxy-17-[(E,2S)-5-hydroxy-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-3-en-2-yl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradeca
SYSTEMATIC NAME: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[[(6R,10R,12S,14R,17S)-17-[(E,2S)-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-5-oxidanyl-hept-3-en-2-yl]-4,4,10,14-tetramethyl-3,12-bis(oxidanyl)-1,2,3,5,6,7,8,9
MOLECULAR FORMULA: C47H80O19
MOLECULAR WEIGHT: 949.1267
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@@H]3CC4C(C[C@@H](C5[C@@]4(CC[C@@H]5[C@](C)(/C=C/C(C(C)C)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)[C@@]7(C3C(C(CC7)O)(C)C)C)CO)O)O)O)O)O
Structure:
CAS RN: 71117-50-5
CAS Name: (E,6R)-9-[(2S,3S,6E)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-2-oxepanyl]-2,3,6-trimethyl-3-nonen-5-one
OPENEYE Name: (E,6R)-9-[(2S,3S,6E)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-oxepan-2-yl]-2,3,6-trimethyl-non-3-en-5-one
IUPAC Name: (E,6R)-9-[(2S,3S,6E)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyloxepan-2-yl]-2,3,6-trimethylnon-3-en-5-one
SYSTEMATIC NAME: (E,6R)-2,3,6-trimethyl-9-[(2S,3S,6E)-2-methyl-3-oxidanyl-6-(2-oxidanylethylidene)oxepan-2-yl]non-3-en-5-one
MOLECULAR FORMULA: C21H36O4
MOLECULAR WEIGHT: 352.50814
SMILES: C[C@H](CCC[C@]1([C@H](CC/C(=C\CO)/CO1)O)C)C(=O)/C=C(\C)/C(C)C
Structure:
CAS RN: 125261-87-2
CAS Name: ammonium 2-[(5E)-5-[[4-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-methoxyphenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetate
OPENEYE Name: ammonium 2-[(5E)-5-[[4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-methoxy-phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetate
IUPAC Name: azanium 2-[(5E)-5-[[4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-methoxyphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
SYSTEMATIC NAME: azanium 2-[(5E)-5-[[4-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-methoxy-phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate
MOLECULAR FORMULA: C21H27N3O10S2
MOLECULAR WEIGHT: 545.58318
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C(C=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)CC(=O)[O-])OC)CO)O)O.[NH4+]
Structure:
CAS RN: 125197-83-3
CAS Name: 4-[[(1E,3E,6E,9E)-pentadeca-1,3,6,9-tetraenyl]thio]butanoic acid methyl ester
OPENEYE Name: methyl 4-[(1E,3E,6E,9E)-pentadeca-1,3,6,9-tetraenyl]sulfanylbutanoate
IUPAC Name: methyl 4-[(1E,3E,6E,9E)-pentadeca-1,3,6,9-tetraenyl]sulfanylbutanoate
SYSTEMATIC NAME: methyl 4-[(1E,3E,6E,9E)-pentadeca-1,3,6,9-tetraenyl]sulfanylbutanoate
MOLECULAR FORMULA: C20H32O2S
MOLECULAR WEIGHT: 336.53188
SMILES: CCCCC/C=C/C/C=C/C/C=C/C=C/SCCCC(=O)OC
Structure:
CAS RN: 125139-36-8
CAS Name: [(2R)-2-[(5Z,8E,11E,13E,15S)-15-hydroxy-1-oxoeicosa-5,8,11,13-tetraenoxy]-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [(2R)-3-hexadecanoyloxy-2-[(5Z,8E,11E,13E,15S)-15-hydroxyicosa-5,8,11,13-tetraenoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [(2R)-3-hexadecanoyloxy-2-[(5Z,8E,11E,13E,15S)-15-hydroxyicosa-5,8,11,13-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [(2R)-3-hexadecanoyloxy-2-[(5Z,8E,11E,13E,15S)-15-oxidanylicosa-5,8,11,13-tetraenoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C44H80NO9P
MOLECULAR WEIGHT: 798.081061
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C/C/C=C/C=C/[C@H](CCCCC)O
Structure:
CAS RN: 70946-44-0
CAS Name: (5E,8Z,11Z,13Z,15S)-15-hydroxyeicosa-5,8,11,13-tetraenoic acid methyl ester
OPENEYE Name: methyl (5E,8Z,11Z,13Z,15S)-15-hydroxyicosa-5,8,11,13-tetraenoate
IUPAC Name: methyl (5E,8Z,11Z,13Z,15S)-15-hydroxyicosa-5,8,11,13-tetraenoate
SYSTEMATIC NAME: methyl (5E,8Z,11Z,13Z,15S)-15-oxidanylicosa-5,8,11,13-tetraenoate
MOLECULAR FORMULA: C21H34O3
MOLECULAR WEIGHT: 334.49286
SMILES: CCCCC[C@@H](/C=C\C=C/C/C=C\C/C=C/CCCC(=O)OC)O
Structure:
CAS RN: 125111-41-3
CAS Name: [(2R)-2-[(5S,6Z,8E,11E,14E)-5-hydroxy-1-oxoeicosa-6,8,11,14-tetraenoxy]-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [(2R)-3-hexadecanoyloxy-2-[(5S,6Z,8E,11E,14E)-5-hydroxyicosa-6,8,11,14-tetraenoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [(2R)-3-hexadecanoyloxy-2-[(5S,6Z,8E,11E,14E)-5-hydroxyicosa-6,8,11,14-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [(2R)-3-hexadecanoyloxy-2-[(5S,6Z,8E,11E,14E)-5-oxidanylicosa-6,8,11,14-tetraenoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C44H80NO9P
MOLECULAR WEIGHT: 798.081061
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC[C@@H](/C=C\C=C\C/C=C/C/C=C/CCCCC)O
Structure:
CAS RN: 125108-66-9
CAS Name: 3-[(E)-1,5-dihydroxy-4-methylpent-3-enyl]-4-hydroxy-7-methoxy-2,3,8-trimethyl-2H-benzo[g]benzofuran-6,9-dione
OPENEYE Name: 3-[(E)-1,5-dihydroxy-4-methyl-pent-3-enyl]-4-hydroxy-7-methoxy-2,3,8-trimethyl-2H-benzo[g]benzofuran-6,9-dione
IUPAC Name: 3-[(E)-1,5-dihydroxy-4-methylpent-3-enyl]-4-hydroxy-7-methoxy-2,3,8-trimethyl-2H-benzo[g][1]benzofuran-6,9-dione
SYSTEMATIC NAME: 7-methoxy-2,3,8-trimethyl-3-[(E)-4-methyl-1,5-bis(oxidanyl)pent-3-enyl]-4-oxidanyl-2H-benzo[g][1]benzofuran-6,9-dione
MOLECULAR FORMULA: C22H26O7
MOLECULAR WEIGHT: 402.43764
SMILES: CC1C(C2=C(C=C3C(=C2O1)C(=O)C(=C(C3=O)OC)C)O)(C)C(C/C=C(\C)/CO)O
Structure:
CAS RN: 125224-54-6
CAS Name: 3-[(E)-1,5-dihydroxy-4-methylpent-3-enyl]-4-hydroxy-7-methoxy-2,3,8-trimethyl-2H-benzo[g]benzofuran-6,9-dione
OPENEYE Name: 3-[(E)-1,5-dihydroxy-4-methyl-pent-3-enyl]-4-hydroxy-7-methoxy-2,3,8-trimethyl-2H-benzo[g]benzofuran-6,9-dione
IUPAC Name: 3-[(E)-1,5-dihydroxy-4-methylpent-3-enyl]-4-hydroxy-7-methoxy-2,3,8-trimethyl-2H-benzo[g][1]benzofuran-6,9-dione
SYSTEMATIC NAME: 7-methoxy-2,3,8-trimethyl-3-[(E)-4-methyl-1,5-bis(oxidanyl)pent-3-enyl]-4-oxidanyl-2H-benzo[g][1]benzofuran-6,9-dione
MOLECULAR FORMULA: C22H26O7
MOLECULAR WEIGHT: 402.43764
SMILES: CC1C(C2=C(C=C3C(=C2O1)C(=O)C(=C(C3=O)OC)C)O)(C)C(C/C=C(\C)/CO)O
Structure:
CAS RN: 125010-17-5
CAS Name: (3E,5E,7E)-3-methyl-8-phenyl-2-octa-3,5,7-trienone
OPENEYE Name: (3E,5E,7E)-3-methyl-8-phenyl-octa-3,5,7-trien-2-one
IUPAC Name: (3E,5E,7E)-3-methyl-8-phenylocta-3,5,7-trien-2-one
SYSTEMATIC NAME: (3E,5E,7E)-3-methyl-8-phenyl-octa-3,5,7-trien-2-one
MOLECULAR FORMULA: C15H16O
MOLECULAR WEIGHT: 212.28694
SMILES: C/C(=C\C=C\C=C\C1=CC=CC=C1)/C(=O)C
Structure:
CAS RN: 96999-67-6
CAS Name: (3S,5R)-3-[(E)-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-1,3,4,5,6,7-hexahydroisobenzofuran-1,5-diol
OPENEYE Name: (3S,5R)-3-[(E)-[(1R,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-1,3,4,5,6,7-hexahydroisobenzofuran-1,5-diol
IUPAC Name: (3S,5R)-3-[(E)-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-1,3,4,5,6,7-hexahydro-2-benzofuran-1,5-diol
SYSTEMATIC NAME: (3S,5R)-3-[(E)-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-1,3,4,5,6,7-hexahydro-2-benzofuran-1,5-diol
MOLECULAR FORMULA: C27H44O4
MOLECULAR WEIGHT: 432.63586
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\[C@H]3C4=C(CC[C@H](C4)O)C(O3)O)C
Structure:
CAS RN: 92353-97-4
CAS Name: 5-[(E)-[5-(4-bromophenyl)-6-hydroxy-3,6-dihydro-1,3,4-oxadiazin-2-ylidene]methyl]-1H-pyrimidine-2,4-dione
OPENEYE Name: 5-[(E)-[5-(4-bromophenyl)-6-hydroxy-3,6-dihydro-1,3,4-oxadiazin-2-ylidene]methyl]-1H-pyrimidine-2,4-dione
IUPAC Name: 5-[(E)-[5-(4-bromophenyl)-6-hydroxy-3,6-dihydro-1,3,4-oxadiazin-2-ylidene]methyl]-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[(E)-[5-(4-bromophenyl)-6-oxidanyl-3,6-dihydro-1,3,4-oxadiazin-2-ylidene]methyl]-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C14H11BrN4O4
MOLECULAR WEIGHT: 379.16554
SMILES: C1=CC(=CC=C1C2=NN/C(=C\C3=CNC(=O)NC3=O)/OC2O)Br
Structure:
CAS RN: 92211-45-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H38O9
MOLECULAR WEIGHT: 530.60662
SMILES: CCCCC/C(=C/C(=O)O[C@@H]1[C@H]2C(=C)[C@H]([C@]3([C@H]4[C@@]2(CO3)[C@@H](C[C@@H]5[C@@]4([C@@H](C(=O)C=C5C)O)C)OC1=O)O)O)/C
Structure:
CAS RN: 124916-99-0
CAS Name: (10Z,12Z)-14-pentyl-1-oxacyclotetradeca-10,12-dien-2-one
OPENEYE Name: (10Z,12Z)-14-pentyl-1-oxacyclotetradeca-10,12-dien-2-one
IUPAC Name: (10Z,12Z)-14-pentyl-1-oxacyclotetradeca-10,12-dien-2-one
SYSTEMATIC NAME: (10Z,12Z)-14-pentyl-1-oxacyclotetradeca-10,12-dien-2-one
MOLECULAR FORMULA: C18H30O2
MOLECULAR WEIGHT: 278.4296
SMILES: CCCCCC1/C=C\C=C/CCCCCCCC(=O)O1
Structure:
CAS RN: 91661-25-5
CAS Name: 1-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-[(E)-2-iodoethenyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-[(E)-2-iodovinyl]pyrimidine-2,4-dione
IUPAC Name: 1-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-[(E)-2-iodoethenyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(1S,3S,4R)-3-(hydroxymethyl)-4-oxidanyl-cyclopentyl]-5-[(E)-2-iodanylethenyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H15IN2O4
MOLECULAR WEIGHT: 378.16297
SMILES: C1[C@@H](C[C@H]([C@@H]1CO)O)N2C=C(C(=O)NC2=O)/C=C/I
Structure:
CAS RN: 120963-50-0
CAS Name: 5-[(E)-2-bromoethenyl]-1-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
OPENEYE Name: 5-[(E)-2-bromovinyl]-1-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
IUPAC Name: 5-[(E)-2-bromoethenyl]-1-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[(E)-2-bromanylethenyl]-1-[(1S,3S,4R)-3-(hydroxymethyl)-4-oxidanyl-cyclopentyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H15BrN2O4
MOLECULAR WEIGHT: 331.1625
SMILES: C1[C@@H](C[C@H]([C@@H]1CO)O)N2C=C(C(=O)NC2=O)/C=C/Br
Structure:
CAS RN: 91661-22-2
CAS Name: 5-[(E)-2-bromoethenyl]-1-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
OPENEYE Name: 5-[(E)-2-bromovinyl]-1-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
IUPAC Name: 5-[(E)-2-bromoethenyl]-1-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[(E)-2-bromanylethenyl]-1-[(1S,3S,4R)-3-(hydroxymethyl)-4-oxidanyl-cyclopentyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H15BrN2O4
MOLECULAR WEIGHT: 331.1625
SMILES: C1[C@@H](C[C@H]([C@@H]1CO)O)N2C=C(C(=O)NC2=O)/C=C/Br
Structure:
CAS RN: 95463-56-2
CAS Name: 5-[(E)-2-bromoethenyl]-1-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
OPENEYE Name: 5-[(E)-2-bromovinyl]-1-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
IUPAC Name: 5-[(E)-2-bromoethenyl]-1-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[(E)-2-bromanylethenyl]-1-[(1S,3S,4R)-3-(hydroxymethyl)-4-oxidanyl-cyclopentyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H15BrN2O4
MOLECULAR WEIGHT: 331.1625
SMILES: C1[C@@H](C[C@H]([C@@H]1CO)O)N2C=C(C(=O)NC2=O)/C=C/Br
Structure:
CAS RN: 91269-98-6
CAS Name: 2-hydroxy-3-[(E)-2-phenylethenyl]-2H-furan-5-one
OPENEYE Name: 2-hydroxy-3-[(E)-styryl]-2H-furan-5-one
IUPAC Name: 2-hydroxy-3-[(E)-2-phenylethenyl]-2H-furan-5-one
SYSTEMATIC NAME: 2-oxidanyl-3-[(E)-2-phenylethenyl]-2H-furan-5-one
MOLECULAR FORMULA: C12H10O3
MOLECULAR WEIGHT: 202.206
SMILES: C1=CC=C(C=C1)/C=C/C2=CC(=O)OC2O
Structure:
CAS RN: 124711-23-5
CAS Name: (E)-1-(2,5-dimethoxyphenyl)-3-[4-(dimethylamino)phenyl]-2-methyl-2-propen-1-one
OPENEYE Name: (E)-1-(2,5-dimethoxyphenyl)-3-[4-(dimethylamino)phenyl]-2-methyl-prop-2-en-1-one
IUPAC Name: (E)-1-(2,5-dimethoxyphenyl)-3-[4-(dimethylamino)phenyl]-2-methylprop-2-en-1-one
SYSTEMATIC NAME: (E)-1-(2,5-dimethoxyphenyl)-3-[4-(dimethylamino)phenyl]-2-methyl-prop-2-en-1-one
MOLECULAR FORMULA: C20H23NO3
MOLECULAR WEIGHT: 325.40152
SMILES: C/C(=C\C1=CC=C(C=C1)N(C)C)/C(=O)C2=C(C=CC(=C2)OC)OC
Structure:
CAS RN: 124704-83-2
CAS Name: (E)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-1-(2,4-dihydroxy-3-methoxy-phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(4-hydroxyphenyl)-1-[3-methoxy-2,4-bis(oxidanyl)phenyl]prop-2-en-1-one
MOLECULAR FORMULA: C16H14O5
MOLECULAR WEIGHT: 286.27936
SMILES: COC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)O
Structure:
CAS RN: 124704-82-1
CAS Name: (E)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-1-(2,4-dihydroxy-3-methoxy-phenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-[3-methoxy-2,4-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=C2)O)OC)O
Structure:
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