CAS RN: 63700-89-0
CAS Name: (2Z,4Z,6E,8Z)-6-fluoro-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid methyl ester
OPENEYE Name: methyl (2Z,4Z,6E,8Z)-6-fluoro-9-(4-methoxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate
IUPAC Name: methyl (2Z,4Z,6E,8Z)-6-fluoro-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate
SYSTEMATIC NAME: methyl (2Z,4Z,6E,8Z)-6-fluoranyl-9-(4-methoxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate
MOLECULAR FORMULA: C22H27FO3
MOLECULAR WEIGHT: 358.446383
SMILES: CC1=CC(=C(C(=C1/C=C\C(=C(/C=C\C(=C/C(=O)OC)\C)\F)\C)C)C)OC
Structure:
CAS RN: 63438-93-7
CAS Name: N-[4-[(E)-2-(4-bromophenyl)ethenyl]phenyl]acetamide
OPENEYE Name: N-[4-[(E)-2-(4-bromophenyl)vinyl]phenyl]acetamide
IUPAC Name: N-[4-[(E)-2-(4-bromophenyl)ethenyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[(E)-2-(4-bromophenyl)ethenyl]phenyl]ethanamide
MOLECULAR FORMULA: C16H14BrNO
MOLECULAR WEIGHT: 316.19246
SMILES: CC(=O)NC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)Br
Structure:
CAS RN: 63421-93-2
CAS Name: (E)-3-(5-nitro-2-furanyl)-1-pyridin-4-yl-2-propen-1-one
OPENEYE Name: (E)-3-(5-nitro-2-furyl)-1-(4-pyridyl)prop-2-en-1-one
IUPAC Name: (E)-3-(5-nitrofuran-2-yl)-1-pyridin-4-ylprop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(5-nitrofuran-2-yl)-1-pyridin-4-yl-prop-2-en-1-one
MOLECULAR FORMULA: C12H8N2O4
MOLECULAR WEIGHT: 244.20292
SMILES: C1=CN=CC=C1C(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-]
Structure:
CAS RN: 63407-59-0
CAS Name: N-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]acetamide
OPENEYE Name: N-[4-[(E)-2-(4-chlorophenyl)vinyl]phenyl]acetamide
IUPAC Name: N-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]ethanamide
MOLECULAR FORMULA: C16H14ClNO
MOLECULAR WEIGHT: 271.74146
SMILES: CC(=O)NC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)Cl
Structure:
CAS RN: 63245-11-4
CAS Name: (2Z,4Z,6Z,8Z)-9-(3-chloro-2,4,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
OPENEYE Name: (2Z,4Z,6Z,8Z)-9-(3-chloro-2,4,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
IUPAC Name: (2Z,4Z,6Z,8Z)-9-(3-chloro-2,4,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
SYSTEMATIC NAME: (2Z,4Z,6Z,8Z)-9-(3-chloranyl-2,4,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
MOLECULAR FORMULA: C20H23ClO2
MOLECULAR WEIGHT: 330.84842
SMILES: CC1=CC(=C(C(=C1/C=C\C(=C/C=C\C(=C/C(=O)O)\C)\C)C)Cl)C
Structure:
CAS RN: 62429-92-9
CAS Name: 2-[(E)-1-(dichloromethylsulfonyl)-2-phenylethenyl]-5-nitrofuran
OPENEYE Name: 2-[(E)-1-(dichloromethylsulfonyl)-2-phenyl-vinyl]-5-nitro-furan
IUPAC Name: 2-[(E)-1-(dichloromethylsulfonyl)-2-phenylethenyl]-5-nitrofuran
SYSTEMATIC NAME: 2-[(E)-1-[bis(chloranyl)methylsulfonyl]-2-phenyl-ethenyl]-5-nitro-furan
MOLECULAR FORMULA: C13H9Cl2NO5S
MOLECULAR WEIGHT: 362.18526
SMILES: C1=CC=C(C=C1)/C=C(\C2=CC=C(O2)[N+](=O)[O-])/S(=O)(=O)C(Cl)Cl
Structure:
CAS RN: 62429-97-4
CAS Name: 2-[(E)-1-(dichloromethylsulfonyl)-2-(4-fluorophenyl)ethenyl]-5-nitrofuran
OPENEYE Name: 2-[(E)-1-(dichloromethylsulfonyl)-2-(4-fluorophenyl)vinyl]-5-nitro-furan
IUPAC Name: 2-[(E)-1-(dichloromethylsulfonyl)-2-(4-fluorophenyl)ethenyl]-5-nitrofuran
SYSTEMATIC NAME: 2-[(E)-1-[bis(chloranyl)methylsulfonyl]-2-(4-fluorophenyl)ethenyl]-5-nitro-furan
MOLECULAR FORMULA: C13H8Cl2FNO5S
MOLECULAR WEIGHT: 380.175723
SMILES: C1=CC(=CC=C1/C=C(\C2=CC=C(O2)[N+](=O)[O-])/S(=O)(=O)C(Cl)Cl)F
Structure:
CAS RN: 61435-52-7
CAS Name: (2Z,4Z,6Z,8Z)-9-(4-methoxy-2,5-dimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
OPENEYE Name: (2Z,4Z,6Z,8Z)-9-(4-methoxy-2,5-dimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
IUPAC Name: (2Z,4Z,6Z,8Z)-9-(4-methoxy-2,5-dimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
SYSTEMATIC NAME: (2Z,4Z,6Z,8Z)-9-(4-methoxy-2,5-dimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
MOLECULAR FORMULA: C20H24O3
MOLECULAR WEIGHT: 312.40276
SMILES: CC1=CC(=C(C=C1/C=C\C(=C/C=C\C(=C/C(=O)O)\C)\C)C)OC
Structure:
CAS RN: 120635-27-0
CAS Name: (6R,7R)-7-[[(2R)-2-amino-2-(2-amino-1,3-benzothiazol-6-yl)-1-oxoethyl]amino]-8-oxo-3-[(Z)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7R)-7-[[(2R)-2-amino-2-(2-amino-1,3-benzothiazol-6-yl)acetyl]amino]-8-oxo-3-[(Z)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7R)-7-[[(2R)-2-amino-2-(2-amino-1,3-benzothiazol-6-yl)acetyl]amino]-8-oxo-3-[(Z)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-7-[[(2R)-2-azanyl-2-(2-azanyl-1,3-benzothiazol-6-yl)ethanoyl]amino]-8-oxidanylidene-3-[(Z)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C19H19N5O4S2
MOLECULAR WEIGHT: 445.51526
SMILES: C/C=C\C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC4=C(C=C3)N=C(S4)N)N)SC1)C(=O)O
Structure:
CAS RN: 120555-28-4
CAS Name: (2E,4E)-5-(3-methoxyphenyl)-N-[(2R)-5-(3-pyridinyl)pentan-2-yl]nona-2,4-dienamide
OPENEYE Name: (2E,4E)-5-(3-methoxyphenyl)-N-[(1R)-1-methyl-4-(3-pyridyl)butyl]nona-2,4-dienamide
IUPAC Name: (2E,4E)-5-(3-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]nona-2,4-dienamide
SYSTEMATIC NAME: (2E,4E)-5-(3-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]nona-2,4-dienamide
MOLECULAR FORMULA: C26H34N2O2
MOLECULAR WEIGHT: 406.56036
SMILES: CCCC/C(=C\C=C\C(=O)N[C@H](C)CCCC1=CN=CC=C1)/C2=CC(=CC=C2)OC
Structure:
CAS RN: 120500-69-8
CAS Name: (2E,4E)-N-[[(2R,3S,4R,5R)-5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxy-2-oxolanyl]methyl]-5-[(1S)-2-[(1R)-2-[(1R)-2-[(1R,2S)-2-[(E)-2-[(1R,2R)-2-methylcyclopropyl]ethenyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]penta-2,4-dienamide
OPENEYE Name: (2E,4E)-N-[[(2R,3S,4R,5R)-5-(2,4-dioxohexahydropyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-5-[(1S)-2-[(1R)-2-[(1R)-2-[(1R,2S)-2-[(E)-2-[(1R,2R)-2-methylcyclopropyl]vinyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]penta-2,4-dienamide
IUPAC Name: (2E,4E)-N-[[(2R,3S,4R,5R)-5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-5-[(1S)-2-[(1R)-2-[(1R)-2-[(1R,2S)-2-[(E)-2-[(1R,2R)-2-methylcyclopropyl]ethenyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]penta-2,4-dienamide
SYSTEMATIC NAME: (2E,4E)-N-[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-5-[(1S)-2-[(1R)-2-[(1R)-2-[(1R,2S)-2-[(E)-2-[(1R,2R)-2-methylcyclopropyl]ethenyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]penta-2,4-dienamid
MOLECULAR FORMULA: C32H43N3O6
MOLECULAR WEIGHT: 565.70032
SMILES: C[C@@H]1C[C@H]1/C=C/[C@@H]2C[C@H]2C3C[C@H]3C4C[C@H]4C5C[C@H]5/C=C/C=C/C(=O)NC[C@@H]6[C@H]([C@H]([C@@H](O6)N7CCC(=O)NC7=O)O)O
Structure:
CAS RN: 120500-21-2
CAS Name: (3Z)-19,22-di(butan-2-yl)-3-ethylidene-36-hydroxy-6,31-bis(2-hydroxyethyl)-16,25-bis(2-methylpropyl)-10-pentyl-28-(phenylmethyl)-1,4,7,11,14,17,20,23,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-2,5,8,12,15,18,21,24,27,30,33-undecone
OPENEYE Name: (3Z)-28-benzyl-3-ethylidene-36-hydroxy-6,31-bis(2-hydroxyethyl)-16,25-diisobutyl-10-pentyl-19,22-disec-butyl-1,4,7,11,14,17,20,23,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-2,5,8,12,15,18,21,24,27,30,33-undecone
IUPAC Name: (3Z)-28-benzyl-19,22-di(butan-2-yl)-3-ethylidene-36-hydroxy-6,31-bis(2-hydroxyethyl)-16,25-bis(2-methylpropyl)-10-pentyl-1,4,7,11,14,17,20,23,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-2,5,8,12,15,18,21,24,27,30,33-undecone
SYSTEMATIC NAME: (3Z)-19,22-di(butan-2-yl)-3-ethylidene-6,31-bis(2-hydroxyethyl)-16,25-bis(2-methylpropyl)-36-oxidanyl-10-pentyl-28-(phenylmethyl)-1,4,7,11,14,17,20,23,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-2,5,8,12,15,18,21,24,27,30,33-undecone
MOLECULAR FORMULA: C60H97N11O14
MOLECULAR WEIGHT: 1196.47748
SMILES: CCCCCC1CC(=O)NC(C(=O)N/C(=C\C)/C(=O)N2CC(CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CC(C)C)C(C)CC)C(C)CC)CC(C)C)CC3=CC=CC=C3)CCO)O)CCO
Structure:
CAS RN: 60900-56-3
CAS Name: (9E,11E)-13-hydroperoxyoctadeca-9,11-dienoic acid methyl ester
OPENEYE Name: methyl (9E,11E)-13-hydroperoxyoctadeca-9,11-dienoate
IUPAC Name: methyl (9E,11E)-13-hydroperoxyoctadeca-9,11-dienoate
SYSTEMATIC NAME: methyl (9E,11E)-13-(dioxidanyl)octadeca-9,11-dienoate
MOLECULAR FORMULA: C19H34O4
MOLECULAR WEIGHT: 326.47086
SMILES: CCCCCC(/C=C/C=C/CCCCCCCC(=O)OC)OO
Structure:
CAS RN: 120450-70-6
CAS Name: (1R,4S)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid [(1S,2E)-1-cyclododec-2-enyl] ester
OPENEYE Name: [(1S,2E)-cyclododec-2-en-1-yl] (1R,4S)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate
IUPAC Name: [(1S,2E)-cyclododec-2-en-1-yl] (1R,4S)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate
SYSTEMATIC NAME: [(1S,2E)-cyclododec-2-en-1-yl] (1R,4S)-1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate
MOLECULAR FORMULA: C22H34O4
MOLECULAR WEIGHT: 362.50296
SMILES: C[C@@]12CC[C@@](C1(C)C)(OC2=O)C(=O)O[C@H]\3CCCCCCCCC/C=C3
Structure:
CAS RN: 120418-73-7
CAS Name: 5-acetamido-2-[[5-[[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-2-[[4,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-3-hydroxy-2-[[(9E,11E,13E,15E)-1-oxooctadeca-9,11,13,15-tetraenyl]amino]octadec-4-eno
OPENEYE Name: 5-acetamido-2-[5-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-3-hydroxy-2-[[(9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoyl]amino]
IUPAC Name: 5-acetamido-2-[5-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-3-hydroxy-2-[[(9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoyl]amino]octadec-4-enoxy]oxan-3-
SYSTEMATIC NAME: 5-acetamido-2-[3-[3-acetamido-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-2-(hydroxymethyl)-6-[2-(hydroxymethyl)-6-[(E)-2-[[(9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoyl]amino]-3-oxidanyl-octadec-4-e
MOLECULAR FORMULA: C73H123N3O31
MOLECULAR WEIGHT: 1538.75922
SMILES: CCCCCCCCCCCCC/C=C/C(C(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O)NC(=O)C)OC5(CC(C(C(O5)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)NC(=O)CCCCCCC/C=C/C=C/C=C/C=C/CC)O
Structure:
CAS RN: 58132-17-5
CAS Name: (E)-3,7-dimethyl-9-(2-oxolanyl)-2-nonenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3,7-dimethyl-9-tetrahydrofuran-2-yl-non-2-enoate
IUPAC Name: ethyl (E)-3,7-dimethyl-9-(oxolan-2-yl)non-2-enoate
SYSTEMATIC NAME: ethyl (E)-3,7-dimethyl-9-(oxolan-2-yl)non-2-enoate
MOLECULAR FORMULA: C17H30O3
MOLECULAR WEIGHT: 282.4183
SMILES: CCOC(=O)/C=C(\C)/CCCC(C)CCC1CCCO1
Structure:
CAS RN: 54757-58-3
CAS Name: (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenamide
OPENEYE Name: (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenamide
IUPAC Name: (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenamide
SYSTEMATIC NAME: (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenamide
MOLECULAR FORMULA: C21H27NO2
MOLECULAR WEIGHT: 325.44458
SMILES: CC1=CC(=C(C(=C1/C=C/C(=C/C=C/C(=C/C(=O)N)/C)/C)C)C)OC
Structure:
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