CAS RN: 89353-92-4
CAS Name: (4Z,6S,7R)-7-bromo-4,6,8-trichloro-2,6-dimethyl-3-octa-1,4-dienone
OPENEYE Name: (4Z,6S,7R)-7-bromo-4,6,8-trichloro-2,6-dimethyl-octa-1,4-dien-3-one
IUPAC Name: (4Z,6S,7R)-7-bromo-4,6,8-trichloro-2,6-dimethylocta-1,4-dien-3-one
SYSTEMATIC NAME: (4Z,6S,7R)-7-bromanyl-4,6,8-tris(chloranyl)-2,6-dimethyl-octa-1,4-dien-3-one
MOLECULAR FORMULA: C10H12BrCl3O
MOLECULAR WEIGHT: 334.46468
SMILES: CC(=C)C(=O)/C(=C/[C@@](C)([C@@H](CCl)Br)Cl)/Cl
Structure:
CAS RN: 89353-62-8
CAS Name: (3Z,6Z,9Z)-nonadeca-3,6,9-triene
OPENEYE Name: (3Z,6Z,9Z)-nonadeca-3,6,9-triene
IUPAC Name: (3Z,6Z,9Z)-nonadeca-3,6,9-triene
SYSTEMATIC NAME: (3Z,6Z,9Z)-nonadeca-3,6,9-triene
MOLECULAR FORMULA: C19H34
MOLECULAR WEIGHT: 262.47326
SMILES: CCCCCCCCC/C=C\C/C=C\C/C=C\CC
Structure:
CAS RN: 89270-25-7
CAS Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-9-(2-hydroxy-2-methylpropyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,18,24-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacon
OPENEYE Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-9-(2-hydroxy-2-methyl-propyl)-6,18,24-triisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,
IUPAC Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-9-(2-hydroxy-2-methylpropyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,18,24-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacon
SYSTEMATIC NAME: (3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-ethyl-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-9-(2-methyl-2-oxidanyl-propyl)-6,18,24-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritri
MOLECULAR FORMULA: C62H111N11O13
MOLECULAR WEIGHT: 1218.61064
SMILES: CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N(C(C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)(C)O)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C
Structure:
CAS RN: 88497-81-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H50O8
MOLECULAR WEIGHT: 598.7667
SMILES: CCCCCCCCCC/C=C/C=C/[C@@]12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H](C4(O1)[C@@H](C[C@@]3(O2)C(=C)C)C)C=C(C6=O)C)O)O)CO
Structure:
CAS RN: 88497-80-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H52O11
MOLECULAR WEIGHT: 684.81288
SMILES: CCCCCCCCC/C=C/C=C/[C@@]12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@@H]6C7([C@H](C4(O1)[C@@H]([C@H]([C@@]3(O2)C(=C)C)OC(=O)C)C)C=C(C7=O)C)O[C@@](O6)(C)O)CO
Structure:
CAS RN: 88316-91-0
CAS Name: 2-[(2E,6E)-3,7-dimethyl-8-(4-methyl-2-furanyl)octa-2,6-dienyl]guanidine
OPENEYE Name: 2-[(2E,6E)-3,7-dimethyl-8-(4-methyl-2-furyl)octa-2,6-dienyl]guanidine
IUPAC Name: 2-[(2E,6E)-3,7-dimethyl-8-(4-methylfuran-2-yl)octa-2,6-dienyl]guanidine
SYSTEMATIC NAME: 2-[(2E,6E)-3,7-dimethyl-8-(4-methylfuran-2-yl)octa-2,6-dienyl]guanidine
MOLECULAR FORMULA: C16H25N3O
MOLECULAR WEIGHT: 275.3892
SMILES: CC1=COC(=C1)C/C(=C/CC/C(=C/CN=C(N)N)/C)/C
Structure:
CAS RN: 67697-26-1
CAS Name: (Z)-2-methyl-2-butenoic acid [(2S)-2-(2-hydroxypropan-2-yl)-8-oxo-2,5-dihydrofuro[2,3-h][1]benzopyran-4-yl] ester
OPENEYE Name: [(2S)-2-(1-hydroxy-1-methyl-ethyl)-8-oxo-2,5-dihydrofuro[2,3-h]chromen-4-yl] (Z)-2-methylbut-2-enoate
IUPAC Name: [(2S)-2-(2-hydroxypropan-2-yl)-8-oxo-2,5-dihydrofuro[2,3-h]chromen-4-yl] (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(2S)-8-oxidanylidene-2-(2-oxidanylpropan-2-yl)-2,5-dihydrofuro[2,3-h]chromen-4-yl] (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C19H20O6
MOLECULAR WEIGHT: 344.3585
SMILES: C/C=C(/C)\C(=O)OC1=C[C@H](OC2=C1CC=C3C2=CC(=O)O3)C(C)(C)O
Structure:
CAS RN: 67603-38-7
CAS Name: (3Z,6S)-3-[[2-(3-methylbut-2-enyl)-1H-imidazol-5-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione
OPENEYE Name: (3S,6Z)-3-isopropyl-6-[[2-(3-methylbut-2-enyl)-1H-imidazol-5-yl]methylene]piperazine-2,5-dione
IUPAC Name: (3Z,6S)-3-[[2-(3-methylbut-2-enyl)-1H-imidazol-5-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione
SYSTEMATIC NAME: (3Z,6S)-3-[[2-(3-methylbut-2-enyl)-1H-imidazol-5-yl]methylidene]-6-propan-2-yl-piperazine-2,5-dione
MOLECULAR FORMULA: C16H22N4O2
MOLECULAR WEIGHT: 302.37148
SMILES: CC(C)[C@H]1C(=O)N/C(=C\C2=CN=C(N2)CC=C(C)C)/C(=O)N1
Structure:
CAS RN: 67411-22-7
CAS Name: (Z)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [(2R,3R,4S,5S,6R)-2-[(1R,2Z,3S,4R,5S)-2-(cyanomethylidene)-3-hydroxy-4,5-dimethoxycyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl] ester
OPENEYE Name: [(2R,3R,4S,5S,6R)-2-[(1R,2Z,3S,4R,5S)-2-(cyanomethylene)-3-hydroxy-4,5-dimethoxy-cyclohexoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] (Z)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
IUPAC Name: [(2R,3R,4S,5S,6R)-2-[(1R,2Z,3S,4R,5S)-2-(cyanomethylidene)-3-hydroxy-4,5-dimethoxycyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2R,3R,4S,5S,6R)-2-[(1R,2Z,3S,4R,5S)-2-(cyanomethylidene)-4,5-dimethoxy-3-oxidanyl-cyclohexyl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl] (Z)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C26H33NO12
MOLECULAR WEIGHT: 551.53972
SMILES: CO[C@H]1C[C@H](/C(=C\C#N)/[C@@H]([C@H]1OC)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OC(=O)/C=C\C3=CC(=C(C=C3)O)OC
Structure:
CAS RN: 67323-02-8
CAS Name: (E)-3-(6-methoxy-1,3-benzodioxol-5-yl)-2-propenal
OPENEYE Name: (E)-3-(6-methoxy-1,3-benzodioxol-5-yl)prop-2-enal
IUPAC Name: (E)-3-(6-methoxy-1,3-benzodioxol-5-yl)prop-2-enal
SYSTEMATIC NAME: (E)-3-(6-methoxy-1,3-benzodioxol-5-yl)prop-2-enal
MOLECULAR FORMULA: C11H10O4
MOLECULAR WEIGHT: 206.1947
SMILES: COC1=CC2=C(C=C1/C=C/C=O)OCO2
Structure:
CAS RN: 66642-86-2
CAS Name: (2E,4E,7Z)-deca-2,4,7-trienal
OPENEYE Name: (2E,4E,7Z)-deca-2,4,7-trienal
IUPAC Name: (2E,4E,7Z)-deca-2,4,7-trienal
SYSTEMATIC NAME: (2E,4E,7Z)-deca-2,4,7-trienal
MOLECULAR FORMULA: C10H14O
MOLECULAR WEIGHT: 150.21756
SMILES: CC/C=C\C/C=C/C=C/C=O
Structure:
CAS RN: 66266-73-7
CAS Name: (2Z,4E)-2-phenoxyhexa-2,4-dienedioic acid
OPENEYE Name: (2Z,4E)-2-phenoxyhexa-2,4-dienedioic acid
IUPAC Name: (2Z,4E)-2-phenoxyhexa-2,4-dienedioic acid
SYSTEMATIC NAME: (2Z,4E)-2-phenoxyhexa-2,4-dienedioic acid
MOLECULAR FORMULA: C12H10O5
MOLECULAR WEIGHT: 234.2048
SMILES: C1=CC=C(C=C1)O/C(=C\C=C\C(=O)O)/C(=O)O
Structure:
CAS RN: 66157-78-6
CAS Name: 3-[(E)-heptadec-3-en-8-yl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 3-[1-[(E)-hept-4-enyl]decyl]-2-hydroxy-5-methoxy-1,4-benzoquinone
IUPAC Name: 3-[(E)-heptadec-3-en-8-yl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 3-[(E)-heptadec-3-en-8-yl]-5-methoxy-2-oxidanyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C24H38O4
MOLECULAR WEIGHT: 390.55612
SMILES: CCCCCCCCCC(CCC/C=C/CC)C1=C(C(=O)C=C(C1=O)OC)O
Structure:
CAS RN: 66113-31-3
CAS Name: (E)-3,7-dimethyl-2-octene-1,8-diol
OPENEYE Name: (E)-3,7-dimethyloct-2-ene-1,8-diol
IUPAC Name: (E)-3,7-dimethyloct-2-ene-1,8-diol
SYSTEMATIC NAME: (E)-3,7-dimethyloct-2-ene-1,8-diol
MOLECULAR FORMULA: C10H20O2
MOLECULAR WEIGHT: 172.2646
SMILES: CC(CCC/C(=C/CO)/C)CO
Structure:
CAS RN: 66110-12-1
CAS Name: (2E,4E)-N-(2-methylpropyl)-5-phenylpenta-2,4-dienamide
OPENEYE Name: (2E,4E)-N-isobutyl-5-phenyl-penta-2,4-dienamide
IUPAC Name: (2E,4E)-N-(2-methylpropyl)-5-phenylpenta-2,4-dienamide
SYSTEMATIC NAME: (2E,4E)-N-(2-methylpropyl)-5-phenyl-penta-2,4-dienamide
MOLECULAR FORMULA: C15H19NO
MOLECULAR WEIGHT: 229.31746
SMILES: CC(C)CNC(=O)/C=C/C=C/C1=CC=CC=C1
Structure:
CAS RN: 47231-76-5
CAS Name: benzoic acid [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] ester
OPENEYE Name: [(E)-3-(3,4-dimethoxyphenyl)allyl] benzoate
IUPAC Name: [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] benzoate
SYSTEMATIC NAME: [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] benzoate
MOLECULAR FORMULA: C18H18O4
MOLECULAR WEIGHT: 298.33312
SMILES: COC1=C(C=C(C=C1)/C=C/COC(=O)C2=CC=CC=C2)OC
Structure:
CAS RN: 43108-49-2
CAS Name: (2E,4Z,7Z)-deca-2,4,7-trienal
OPENEYE Name: (2E,4Z,7Z)-deca-2,4,7-trienal
IUPAC Name: (2E,4Z,7Z)-deca-2,4,7-trienal
SYSTEMATIC NAME: (2E,4Z,7Z)-deca-2,4,7-trienal
MOLECULAR FORMULA: C10H14O
MOLECULAR WEIGHT: 150.21756
SMILES: CC/C=C\C/C=C\C=C\C=O
Structure:
CAS RN: 42782-96-7
CAS Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]-5-heptenoic acid methyl ester
OPENEYE Name: methyl (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoate
IUPAC Name: methyl (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoate
SYSTEMATIC NAME: methyl (Z)-7-[(1R,2R,3R)-2-[(E)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoate
MOLECULAR FORMULA: C23H38O5
MOLECULAR WEIGHT: 394.54482
SMILES: CCCCC(C)(C)C(/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)OC)O)O
Structure:
CAS RN: 104759-00-4
CAS Name: 2-methylbutanoic acid [3,6-diacetyloxy-3,6,9-trimethyl-4-[(E)-2-methyl-1-oxobut-2-enoxy]-3a,5,6a,7,9a,9b-hexahydro-2H-azuleno[4,5-b]furan-4-yl] ester
OPENEYE Name: [3,6-diacetoxy-3,6,9-trimethyl-4-[(E)-2-methylbut-2-enoyl]oxy-3a,5,6a,7,9a,9b-hexahydro-2H-azuleno[4,5-b]furan-4-yl] 2-methylbutanoate
IUPAC Name: [3,6-diacetyloxy-3,6,9-trimethyl-4-[(E)-2-methylbut-2-enoyl]oxy-3a,5,6a,7,9a,9b-hexahydro-2H-azuleno[4,5-b]furan-4-yl] 2-methylbutanoate
SYSTEMATIC NAME: [3,6-diacetyloxy-3,6,9-trimethyl-4-[(E)-2-methylbut-2-enoyl]oxy-3a,5,6a,7,9a,9b-hexahydro-2H-azuleno[4,5-b]furan-4-yl] 2-methylbutanoate
MOLECULAR FORMULA: C29H42O9
MOLECULAR WEIGHT: 534.63838
SMILES: CCC(C)C(=O)OC1(CC(C2CC=C(C2C3C1C(CO3)(C)OC(=O)C)C)(C)OC(=O)C)OC(=O)/C(=C/C)/C
Structure:
CAS RN: 41653-77-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H20O4
MOLECULAR WEIGHT: 264.3169
SMILES: C/C/1=C\CCC2(C(O2)C(C3C(C1)OC(=O)C3=C)O)C
Structure:
CAS RN: 41653-76-3
CAS Name: (3aS,4R,5Z,9R,11aS)-4,9-dihydroxy-6-methyl-3,10-dimethylene-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
OPENEYE Name: (3aS,4R,5Z,9R,11aS)-4,9-dihydroxy-6-methyl-3,10-dimethylene-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
IUPAC Name: (3aS,4R,5Z,9R,11aS)-4,9-dihydroxy-6-methyl-3,10-dimethylidene-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
SYSTEMATIC NAME: (3aS,4R,5Z,9R,11aS)-6-methyl-3,10-dimethylidene-4,9-bis(oxidanyl)-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
MOLECULAR FORMULA: C15H20O4
MOLECULAR WEIGHT: 264.3169
SMILES: C/C/1=C/[C@H]([C@H]2[C@H](CC(=C)[C@@H](CC1)O)OC(=O)C2=C)O
Structure:
CAS RN: 41653-75-2
CAS Name: (3aS,5Z,10Z)-4,9-dihydroxy-6,10-dimethyl-3-methylene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2-one
OPENEYE Name: (3aS,5Z,10Z)-4,9-dihydroxy-6,10-dimethyl-3-methylene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2-one
IUPAC Name: (3aS,5Z,10Z)-4,9-dihydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2-one
SYSTEMATIC NAME: (3aS,5Z,10Z)-6,10-dimethyl-3-methylidene-4,9-bis(oxidanyl)-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2-one
MOLECULAR FORMULA: C15H20O4
MOLECULAR WEIGHT: 264.3169
SMILES: C/C/1=C/C([C@H]2C(/C=C(\C(CC1)O)/C)OC(=O)C2=C)O
Structure:
CAS RN: 41628-26-6
CAS Name: (Z)-2-methyl-2-butenoic acid [(2R,4aR,5R,6R,8aS)-6-hydroxy-1,1,4a,6-tetramethyl-5-[(2-oxo-1-benzopyran-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] ester
OPENEYE Name: [(2R,4aR,5R,6R,8aS)-6-hydroxy-1,1,4a,6-tetramethyl-5-[(2-oxochromen-7-yl)oxymethyl]decalin-2-yl] (Z)-2-methylbut-2-enoate
IUPAC Name: [(2R,4aR,5R,6R,8aS)-6-hydroxy-1,1,4a,6-tetramethyl-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(2R,4aR,5R,6R,8aS)-1,1,4a,6-tetramethyl-6-oxidanyl-5-[(2-oxidanylidenechromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C29H38O6
MOLECULAR WEIGHT: 482.60842
SMILES: C/C=C(/C)\C(=O)O[C@@H]1CC[C@@]2([C@@H](C1(C)C)CC[C@@]([C@H]2COC3=CC4=C(C=C3)C=CC(=O)O4)(C)O)C
Structure:
CAS RN: 41380-75-0
CAS Name: 2-[(E)-2-(1-amino-1-cyclohexa-2,4-dienyl)ethenyl]aniline
OPENEYE Name: 2-[(E)-2-(1-aminocyclohexa-2,4-dien-1-yl)vinyl]aniline
IUPAC Name: 2-[(E)-2-(1-aminocyclohexa-2,4-dien-1-yl)ethenyl]aniline
SYSTEMATIC NAME: 2-[(E)-2-(1-azanylcyclohexa-2,4-dien-1-yl)ethenyl]aniline
MOLECULAR FORMULA: C14H16N2
MOLECULAR WEIGHT: 212.29024
SMILES: C1C=CC=CC1(/C=C/C2=CC=CC=C2N)N
Structure:
CAS RN: 41060-10-0
CAS Name: (2Z,5E,9E)-2-[(E)-7-(3-furanyl)-4-methylhept-4-enylidene]-11-methoxy-6,10-dimethyl-11-oxoundeca-5,9-dienoic acid
OPENEYE Name: (2Z,5E,9E)-2-[(E)-7-(3-furyl)-4-methyl-hept-4-enylidene]-11-methoxy-6,10-dimethyl-11-oxo-undeca-5,9-dienoic acid
IUPAC Name: (2Z,5E,9E)-2-[(E)-7-(furan-3-yl)-4-methylhept-4-enylidene]-11-methoxy-6,10-dimethyl-11-oxoundeca-5,9-dienoic acid
SYSTEMATIC NAME: (2Z,5E,9E)-2-[(E)-7-(furan-3-yl)-4-methyl-hept-4-enylidene]-11-methoxy-6,10-dimethyl-11-oxidanylidene-undeca-5,9-dienoic acid
MOLECULAR FORMULA: C26H36O5
MOLECULAR WEIGHT: 428.56104
SMILES: C/C(=C\CCC1=COC=C1)/CC/C=C(/CC/C=C(\C)/CC/C=C(\C)/C(=O)OC)\C(=O)O
Structure:
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