CAS RN: 5464-90-4
CAS Name: (3R,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
OPENEYE Name: (3R,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
IUPAC Name: (3R,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
SYSTEMATIC NAME: (3R,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
MOLECULAR FORMULA: C30H50O2
MOLECULAR WEIGHT: 442.7168
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)CO
Structure:
CAS RN: 545-46-0
CAS Name: (3R,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
OPENEYE Name: (3R,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
IUPAC Name: (3R,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
SYSTEMATIC NAME: (3R,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
MOLECULAR FORMULA: C30H50O2
MOLECULAR WEIGHT: 442.7168
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)CO
Structure:
CAS RN: 75350-46-8
CAS Name: 1,3-diphenyl-4,5,6,7-tetrahydroisobenzofuran
OPENEYE Name: 1,3-diphenyl-4,5,6,7-tetrahydroisobenzofuran
IUPAC Name: 1,3-diphenyl-4,5,6,7-tetrahydro-2-benzofuran
SYSTEMATIC NAME: 1,3-diphenyl-4,5,6,7-tetrahydro-2-benzofuran
MOLECULAR FORMULA: C20H18O
MOLECULAR WEIGHT: 274.35632
SMILES: C1CCC2=C(OC(=C2C1)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 514801-21-9
CAS Name: 8,8-dimethyl-3-oxaspiro[4.5]decane-2,4-dione
OPENEYE Name: 8,8-dimethyl-3-oxaspiro[4.5]decane-2,4-dione
IUPAC Name: 8,8-dimethyl-3-oxaspiro[4.5]decane-2,4-dione
SYSTEMATIC NAME: 8,8-dimethyl-3-oxaspiro[4.5]decane-2,4-dione
MOLECULAR FORMULA: C11H16O3
MOLECULAR WEIGHT: 196.24294
SMILES: CC1(CCC2(CC1)CC(=O)OC2=O)C
Structure:
CAS RN: 7169-97-3
CAS Name: N-(5-bromo-2-pyridinyl)acetamide
OPENEYE Name: N-(5-bromo-2-pyridyl)acetamide
IUPAC Name: N-(5-bromopyridin-2-yl)acetamide
SYSTEMATIC NAME: N-(5-bromanylpyridin-2-yl)ethanamide
MOLECULAR FORMULA: C7H7BrN2O
MOLECULAR WEIGHT: 215.04728
SMILES: CC(=O)NC1=NC=C(C=C1)Br
Structure:
CAS RN: 134978-97-5
CAS Name: 3,5-diiodo-1H-pyridin-2-one
OPENEYE Name: 3,5-diiodo-1H-pyridin-2-one
IUPAC Name: 3,5-diiodo-1H-pyridin-2-one
SYSTEMATIC NAME: 3,5-bis(iodanyl)-1H-pyridin-2-one
MOLECULAR FORMULA: C5H3I2NO
MOLECULAR WEIGHT: 346.89236
SMILES: C1=C(C(=O)NC=C1I)I
Structure:
CAS RN: 102170-56-9
CAS Name: 2-bromo-6-methyl-4-nitroaniline
OPENEYE Name: 2-bromo-6-methyl-4-nitro-aniline
IUPAC Name: 2-bromo-6-methyl-4-nitroaniline
SYSTEMATIC NAME: 2-bromanyl-6-methyl-4-nitro-aniline
MOLECULAR FORMULA: C7H7BrN2O2
MOLECULAR WEIGHT: 231.04668
SMILES: CC1=CC(=CC(=C1N)Br)[N+](=O)[O-]
Structure:
CAS RN: 6592-89-8
CAS Name: 4-(4-carboxy-2-iodophenyl)-3-iodobenzoic acid
OPENEYE Name: 4-(4-carboxy-2-iodo-phenyl)-3-iodo-benzoic acid
IUPAC Name: 4-(4-carboxy-2-iodophenyl)-3-iodobenzoic acid
SYSTEMATIC NAME: 4-(4-carboxy-2-iodanyl-phenyl)-3-iodanyl-benzoic acid
MOLECULAR FORMULA: C14H8I2O4
MOLECULAR WEIGHT: 494.01986
SMILES: C1=CC(=C(C=C1C(=O)O)I)C2=C(C=C(C=C2)C(=O)O)I
Structure:
CAS RN: 13809-81-9
CAS Name: 1-(2-dibenzofuranyl)ethanone
OPENEYE Name: 1-dibenzofuran-2-ylethanone
IUPAC Name: 1-dibenzofuran-2-ylethanone
SYSTEMATIC NAME: 1-dibenzofuran-2-ylethanone
MOLECULAR FORMULA: C14H10O2
MOLECULAR WEIGHT: 210.228
SMILES: CC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C32
Structure:
CAS RN: 104907-34-8
CAS Name: 1,12-dioxacyclodocosane-2,13-dione
OPENEYE Name: 1,12-dioxacyclodocosane-2,13-dione
IUPAC Name: 1,12-dioxacyclodocosane-2,13-dione
SYSTEMATIC NAME: 1,12-dioxacyclodocosane-2,13-dione
MOLECULAR FORMULA: C20H36O4
MOLECULAR WEIGHT: 340.49744
SMILES: C1CCCCC(=O)OCCCCCCCCCC(=O)OCCCC1
Structure:
CAS RN: 90605-05-3
CAS Name: 2-[[4-(bromomethyl)phenyl]-oxomethyl]benzoic acid
OPENEYE Name: 2-[4-(bromomethyl)benzoyl]benzoic acid
IUPAC Name: 2-[4-(bromomethyl)benzoyl]benzoic acid
SYSTEMATIC NAME: 2-[4-(bromomethyl)phenyl]carbonylbenzoic acid
MOLECULAR FORMULA: C15H11BrO3
MOLECULAR WEIGHT: 319.15004
SMILES: C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)CBr)C(=O)O
Structure:
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