CAS RN: 72145-13-2
CAS Name: (3aS,5aR,6R,9bS)-6-hydroxy-5a,9-dimethyl-3-methylene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g]benzofuran-2-one
OPENEYE Name: (3aS,5aR,6R,9bS)-6-hydroxy-5a,9-dimethyl-3-methylene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g]benzofuran-2-one
IUPAC Name: (3aS,5aR,6R,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
SYSTEMATIC NAME: (3aS,5aR,6R,9bS)-5a,9-dimethyl-3-methylidene-6-oxidanyl-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
MOLECULAR FORMULA: C15H20O3
MOLECULAR WEIGHT: 248.3175
SMILES: CC1=C2[C@@H]3[C@@H](CC[C@]2([C@@H](CC1)O)C)C(=C)C(=O)O3
Structure:
CAS RN: 133383-20-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C56H40O12
MOLECULAR WEIGHT: 904.9096
SMILES: C1=CC(=CC=C1[C@H]2[C@H]3C(=O)C=C4[C@H]5[C@@H](OC6=C5C(=CC(=C6)O)[C@@H]7[C@@H]([C@]4([C@@H]2C8=C9[C@H]([C@@H](OC9=CC(=C78)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)C3=O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O
Structure:
CAS RN: 55784-80-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26O5
MOLECULAR WEIGHT: 346.41744
SMILES: C[C@]12CCC[C@]3([C@H]1[C@@H](C[C@]4([C@@]3(CCC5=COC=C5)O)CO4)OC2=O)C
Structure:
CAS RN: 38964-35-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H14N2O2
MOLECULAR WEIGHT: 182.21966
SMILES: CC(=O)N[C@@H]1[C@H]2CN3[C@@H]1[C@@H](O2)CC3
Structure:
CAS RN: 87885-63-0
CAS Name: [(5R)-5-hydroxy-3,4,4,5-tetramethyl-1-pyrazolyl]-(4-methylphenyl)methanone
OPENEYE Name: [(5R)-5-hydroxy-3,4,4,5-tetramethyl-pyrazol-1-yl]-(p-tolyl)methanone
IUPAC Name: [(5R)-5-hydroxy-3,4,4,5-tetramethylpyrazol-1-yl]-(4-methylphenyl)methanone
SYSTEMATIC NAME: (4-methylphenyl)-[(5R)-3,4,4,5-tetramethyl-5-oxidanyl-pyrazol-1-yl]methanone
MOLECULAR FORMULA: C15H20N2O2
MOLECULAR WEIGHT: 260.3315
SMILES: CC1=CC=C(C=C1)C(=O)N2[C@](C(C(=N2)C)(C)C)(C)O
Structure:
CAS RN: 134076-53-2
CAS Name: [[(5S)-5-methyl-2-propan-2-yl-1-cyclohexenyl]seleno]benzene
OPENEYE Name: [(5S)-2-isopropyl-5-methyl-cyclohexen-1-yl]selanylbenzene
IUPAC Name: [(5S)-5-methyl-2-propan-2-ylcyclohexen-1-yl]selanylbenzene
SYSTEMATIC NAME: [(5S)-5-methyl-2-propan-2-yl-cyclohexen-1-yl]selanylbenzene
MOLECULAR FORMULA: C16H22Se
MOLECULAR WEIGHT: 293.30588
SMILES: C[C@H]1CCC(=C(C1)[Se]C2=CC=CC=C2)C(C)C
Structure:
CAS RN: 71239-64-0
CAS Name: (3aR,8bR)-6-bromo-3-methyl-8b-(2-methylbut-3-en-2-yl)-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
OPENEYE Name: (3aR,8bR)-6-bromo-8b-(1,1-dimethylallyl)-3-methyl-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
IUPAC Name: (3aR,8bR)-6-bromo-3-methyl-8b-(2-methylbut-3-en-2-yl)-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SYSTEMATIC NAME: (3aR,8bR)-6-bromanyl-3-methyl-8b-(2-methylbut-3-en-2-yl)-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
MOLECULAR FORMULA: C21H29BrN2
MOLECULAR WEIGHT: 389.37236
SMILES: CC(=CCN1[C@@H]2[C@@](CCN2C)(C3=C1C=C(C=C3)Br)C(C)(C)C=C)C
Structure:
CAS RN: 54248-02-1
CAS Name: (2S)-2-methyl-5-oxohexanoic acid
OPENEYE Name: (2S)-2-methyl-5-oxo-hexanoic acid
IUPAC Name: (2S)-2-methyl-5-oxohexanoic acid
SYSTEMATIC NAME: (2S)-2-methyl-5-oxidanylidene-hexanoic acid
MOLECULAR FORMULA: C7H12O3
MOLECULAR WEIGHT: 144.16838
SMILES: C[C@@H](CCC(=O)C)C(=O)O
Structure:
CAS RN: 108868-95-7
CAS Name: (2E,4E,6E)-N-[(1S)-3-[[(2S)-3-methyl-1-[(3R,4S)-4-methyl-2,5-dioxo-3-pyrrolidinyl]-1-oxobutan-2-yl]amino]-3-oxo-1-phenylpropyl]octa-2,4,6-trienamide
OPENEYE Name: (2E,4E,6E)-N-[(1S)-3-[[(1S)-2-methyl-1-[(3R,4S)-4-methyl-2,5-dioxo-pyrrolidine-3-carbonyl]propyl]amino]-3-oxo-1-phenyl-propyl]octa-2,4,6-trienamide
IUPAC Name: (2E,4E,6E)-N-[(1S)-3-[[(2S)-3-methyl-1-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-1-oxobutan-2-yl]amino]-3-oxo-1-phenylpropyl]octa-2,4,6-trienamide
SYSTEMATIC NAME: (2E,4E,6E)-N-[(1S)-3-[[(2S)-3-methyl-1-[(3R,4S)-4-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-1-phenyl-propyl]octa-2,4,6-trienamide
MOLECULAR FORMULA: C27H33N3O5
MOLECULAR WEIGHT: 479.56802
SMILES: C/C=C/C=C/C=C/C(=O)N[C@@H](CC(=O)N[C@@H](C(C)C)C(=O)[C@H]1[C@@H](C(=O)NC1=O)C)C2=CC=CC=C2
Structure:
CAS RN: 445471-63-6
CAS Name: 2-(5-oxo-6H-benzo[f][2,7]naphthyridin-4-yl)-3-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 2-(5-oxo-6H-benzo[f][2,7]naphthyridin-4-yl)pyridine-3-carboxylate
IUPAC Name: methyl 2-(5-oxo-6H-benzo[f][2,7]naphthyridin-4-yl)pyridine-3-carboxylate
SYSTEMATIC NAME: methyl 2-(5-oxidanylidene-6H-benzo[f][2,7]naphthyridin-4-yl)pyridine-3-carboxylate
MOLECULAR FORMULA: C19H13N3O3
MOLECULAR WEIGHT: 331.32482
SMILES: COC(=O)C1=C(N=CC=C1)C2=NC=CC3=C2C(=O)NC4=CC=CC=C34
Structure:
CAS RN: 2883-98-9
CAS Name: 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene
OPENEYE Name: 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene
IUPAC Name: 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene
SYSTEMATIC NAME: 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene
MOLECULAR FORMULA: C12H16O3
MOLECULAR WEIGHT: 208.25364
SMILES: C/C=C/C1=CC(=C(C=C1OC)OC)OC
Structure:
CAS RN: 494-40-6
CAS Name: 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene
OPENEYE Name: 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene
IUPAC Name: 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene
SYSTEMATIC NAME: 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene
MOLECULAR FORMULA: C12H16O3
MOLECULAR WEIGHT: 208.25364
SMILES: C/C=C/C1=CC(=C(C=C1OC)OC)OC
Structure:
CAS RN: 5273-86-9
CAS Name: 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene
OPENEYE Name: 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene
IUPAC Name: 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene
SYSTEMATIC NAME: 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene
MOLECULAR FORMULA: C12H16O3
MOLECULAR WEIGHT: 208.25364
SMILES: C/C=C/C1=CC(=C(C=C1OC)OC)OC
Structure:
CAS RN: 6255-72-7
CAS Name: N-[(2S,3S,4R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]-2-aminoacetamide
OPENEYE Name: N-[(2S,3S,4R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-2-amino-acetamide
IUPAC Name: N-[(2S,3S,4R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-aminoacetamide
SYSTEMATIC NAME: N-[(2S,3S,4R,5S,6S)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]-2-azanyl-ethanamide
MOLECULAR FORMULA: C10H19N3O6
MOLECULAR WEIGHT: 277.27436
SMILES: CC(=O)N[C@H]1[C@H]([C@@H]([C@@H](O[C@@H]1NC(=O)CN)CO)O)O
Structure:
CAS RN: 133453-54-0
CAS Name: (4aS,6aR,6bR,8aR,10S,12aR,14bR)-2,2,6b,9,9,12a-hexamethyl-10-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydro-1H-picene-4a-carboxylic acid
OPENEYE Name: (4aS,6aR,6bR,8aR,10S,12aR,14bR)-2,2,6b,9,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydro-1H-picene-4a-carboxylic acid
IUPAC Name: (4aS,6aR,6bR,8aR,10S,12aR,14bR)-2,2,6b,9,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydro-1H-picene-4a-carboxylic acid
SYSTEMATIC NAME: (4aS,6aR,6bR,8aR,10S,12aR,14bR)-2,2,6b,9,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydro-1H-picene-4a-carboxylic acid
MOLECULAR FORMULA: C35H56O7
MOLECULAR WEIGHT: 588.81494
SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CCC5=C([C@@]4(CC[C@H]3C2(C)C)C)CC[C@@]6([C@@H]5CC(CC6)(C)C)C(=O)O)C)O)O)O
Structure:
CAS RN: 70063-24-0
CAS Name: 2,3,6-tribromo-1-methylindole
OPENEYE Name: 2,3,6-tribromo-1-methyl-indole
IUPAC Name: 2,3,6-tribromo-1-methylindole
SYSTEMATIC NAME: 2,3,6-tris(bromanyl)-1-methyl-indole
MOLECULAR FORMULA: C9H6Br3N
MOLECULAR WEIGHT: 367.86264
SMILES: CN1C2=C(C=CC(=C2)Br)C(=C1Br)Br
Structure:
CAS RN: 84692-91-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H18O3
MOLECULAR WEIGHT: 246.30162
SMILES: CC1=CC[C@@]23[C@@H]1[C@@H]4[C@@H](CC[C@@]2(O3)C)C(=C)C(=O)O4
Structure:
CAS RN: 5353-15-1
CAS Name: 1,2,4-trimethoxy-5-prop-2-enylbenzene
OPENEYE Name: 1-allyl-2,4,5-trimethoxy-benzene
IUPAC Name: 1,2,4-trimethoxy-5-prop-2-enylbenzene
SYSTEMATIC NAME: 1,2,4-trimethoxy-5-prop-2-enyl-benzene
MOLECULAR FORMULA: C12H16O3
MOLECULAR WEIGHT: 208.25364
SMILES: COC1=CC(=C(C=C1CC=C)OC)OC
Structure:
CAS RN: 65610-87-9
CAS Name: 1,2-bis(1H-indol-3-yl)ethane-1,2-dione
OPENEYE Name: 1,2-bis(1H-indol-3-yl)ethane-1,2-dione
IUPAC Name: 1,2-bis(1H-indol-3-yl)ethane-1,2-dione
SYSTEMATIC NAME: 1,2-bis(1H-indol-3-yl)ethane-1,2-dione
MOLECULAR FORMULA: C18H12N2O2
MOLECULAR WEIGHT: 288.30008
SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)C(=O)C3=CNC4=CC=CC=C43
Structure:
CAS RN: 124495-56-3
CAS Name: 1,2-dimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene
OPENEYE Name: 1,2-dimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene
IUPAC Name: 1,2-dimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene
SYSTEMATIC NAME: 1,2-dimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene
MOLECULAR FORMULA: C11H13NO4
MOLECULAR WEIGHT: 223.22522
SMILES: C/C(=C\C1=CC(=C(C=C1)OC)OC)/[N+](=O)[O-]
Structure:
CAS RN: 122-47-4
CAS Name: 1,2-dimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene
OPENEYE Name: 1,2-dimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene
IUPAC Name: 1,2-dimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene
SYSTEMATIC NAME: 1,2-dimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene
MOLECULAR FORMULA: C11H13NO4
MOLECULAR WEIGHT: 223.22522
SMILES: C/C(=C\C1=CC(=C(C=C1)OC)OC)/[N+](=O)[O-]
Structure:
CAS RN: 10589-28-3
CAS Name: (Z)-2-hydroxy-3-(4-hydroxyphenyl)-2-propenoic acid
OPENEYE Name: (Z)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid
IUPAC Name: (Z)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (Z)-3-(4-hydroxyphenyl)-2-oxidanyl-prop-2-enoic acid
MOLECULAR FORMULA: C9H8O4
MOLECULAR WEIGHT: 180.15742
SMILES: C1=CC(=CC=C1/C=C(/C(=O)O)\O)O
Structure:
CAS RN: 127913-82-0
CAS Name: (3S)-3,5,7-trihydroxy-1-oxo-6-[(E)-3-oxotetradec-4-enyl]-3H-isobenzofuran-4-carboxaldehyde
OPENEYE Name: (3S)-3,5,7-trihydroxy-1-oxo-6-[(E)-3-oxotetradec-4-enyl]-3H-isobenzofuran-4-carbaldehyde
IUPAC Name: (3S)-3,5,7-trihydroxy-1-oxo-6-[(E)-3-oxotetradec-4-enyl]-3H-2-benzofuran-4-carbaldehyde
SYSTEMATIC NAME: (3S)-3,5,7-tris(oxidanyl)-1-oxidanylidene-6-[(E)-3-oxidanylidenetetradec-4-enyl]-3H-2-benzofuran-4-carbaldehyde
MOLECULAR FORMULA: C23H30O7
MOLECULAR WEIGHT: 418.4801
SMILES: CCCCCCCCC/C=C/C(=O)CCC1=C(C2=C([C@H](OC2=O)O)C(=C1O)C=O)O
Structure:
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