CAS RN: 98873-83-7
CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]propanoic acid [(4E,10Z,12E,14E)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-19-azabicyclo[18.3.1]tetracosa-1(24),4,10,12,14,20,22-heptaen-8-yl] ester
OPENEYE Name: [(4E,10Z,12E,14E)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-19-azabicyclo[18.3.1]tetracosa-1(24),4,10,12,14,20,22-heptaen-8-yl] 2-(cyclohexanecarbonylamino)propanoate
IUPAC Name: [(4E,10Z,12E,14E)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-19-azabicyclo[18.3.1]tetracosa-1(24),4,10,12,14,20,22-heptaen-8-yl] 2-(cyclohexanecarbonylamino)propanoate
SYSTEMATIC NAME: [(4E,10Z,12E,14E)-16-methoxy-5,7-dimethyl-6,22-bis(oxidanyl)-18-oxidanylidene-19-azabicyclo[18.3.1]tetracosa-1(24),4,10,12,14,20,22-heptaen-8-yl] 2-(cyclohexylcarbonylamino)propanoate
MOLECULAR FORMULA: C36H50N2O7
MOLECULAR WEIGHT: 622.7914
SMILES: CC1C(C/C=C\C=C\C=C\C(CC(=O)NC2=CC(=CC(=C2)CC/C=C(/C1O)\C)O)OC)OC(=O)C(C)NC(=O)C3CCCCC3
Structure:
CAS RN: 98830-20-7
CAS Name: (1S,3E,4S)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methyl-1-cyclohexanol
OPENEYE Name: (1S,3E,4S)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,1R,4S)-5-hydroxy-1,4,5-trimethyl-hex-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methyl-cyclohexanol
IUPAC Name: (1S,3E,4S)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylcyclohexan-1-ol
SYSTEMATIC NAME: (1S,3E,4S)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5,6-dimethyl-6-oxidanyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methyl-cyclohexan-1-ol
MOLECULAR FORMULA: C28H46O2
MOLECULAR WEIGHT: 414.66364
SMILES: C[C@H]\1CC[C@@H](C/C1=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C)O
Structure:
CAS RN: 98813-13-9
CAS Name: (3E,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(E,2S,3R,4S,8S,9R)-3,9-dihydroxy-4,8,10-trimethyl-5-oxoundec-6-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
OPENEYE Name: (3E,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(E,1S,2R,3S,7S,8R)-2,8-dihydroxy-1,3,7,9-tetramethyl-4-oxo-dec-5-enyl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
IUPAC Name: (3E,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(E,2S,3R,4S,8S,9R)-3,9-dihydroxy-4,8,10-trimethyl-5-oxoundec-6-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
SYSTEMATIC NAME: (3E,5E,7R,8S,9S,11E,13E,15S,16R)-3,15-dimethoxy-5,7,9,11-tetramethyl-8-oxidanyl-16-[(E,2S,3R,4S,8S,9R)-4,8,10-trimethyl-3,9-bis(oxidanyl)-5-oxidanylidene-undec-6-en-2-yl]-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
MOLECULAR FORMULA: C35H56O8
MOLECULAR WEIGHT: 604.81434
SMILES: C[C@H]1C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C\C(=C\[C@H]([C@H]1O)C)\C)/OC)[C@@H](C)[C@H]([C@H](C)C(=O)/C=C/[C@H](C)[C@@H](C(C)C)O)O)OC)/C
Structure:
CAS RN: 98728-28-0
CAS Name: 2-(4-azido-2-nitroanilino)acetic acid [(3Z,5S)-3-[(2Z)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-4-methylenecyclohexyl] ester
OPENEYE Name: [(3Z,5S)-3-[(2Z)-2-[(1R,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-4-methylene-cyclohexyl] 2-(4-azido-2-nitro-anilino)acetate
IUPAC Name: [(3Z,5S)-3-[(2Z)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-4-methylidenecyclohexyl] 2-(4-azido-2-nitroanilino)acetate
SYSTEMATIC NAME: [(3Z,5S)-3-[(2Z)-2-[(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]ethylidene]-4-methylidene-5-oxidanyl-cyclohexyl] 2-[(4-azido-2-nitro-phenyl)amino]ethanoate
MOLECULAR FORMULA: C35H49N5O6
MOLECULAR WEIGHT: 635.79346
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C/C=C\3/CC(C[C@@H](C3=C)O)OC(=O)CNC4=C(C=C(C=C4)N=[N+]=[N-])[N+](=O)[O-])C
Structure:
CAS RN: 98677-36-2
CAS Name: 6-[[(1R,5R)-5-[(E,3S)-3-hydroxy-4,4-dimethyloct-1-enyl]-3,3-dimethyl-2-oxocyclopentyl]thio]hexanoic acid
OPENEYE Name: 6-[(1R,5R)-5-[(E,3S)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-3,3-dimethyl-2-oxo-cyclopentyl]sulfanylhexanoic acid
IUPAC Name: 6-[(1R,5R)-5-[(E,3S)-3-hydroxy-4,4-dimethyloct-1-enyl]-3,3-dimethyl-2-oxocyclopentyl]sulfanylhexanoic acid
SYSTEMATIC NAME: 6-[(1R,5R)-5-[(E,3S)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]-3,3-dimethyl-2-oxidanylidene-cyclopentyl]sulfanylhexanoic acid
MOLECULAR FORMULA: C23H40O4S
MOLECULAR WEIGHT: 412.6263
SMILES: CCCCC(C)(C)[C@H](/C=C/[C@H]1CC(C(=O)[C@@H]1SCCCCCC(=O)O)(C)C)O
Structure:
CAS RN: 76391-77-0
CAS Name: 3-(10,10-dimethyl-9-anthracenylidene)-N,N-dimethyl-1-propanamine; 2-[4-[(3E)-3-[2-(trifluoromethyl)-9-thioxanthenylidene]propyl]-1-piperazinyl]ethanol
OPENEYE Name: 3-(10,10-dimethyl-9-anthrylidene)-N,N-dimethyl-propan-1-amine; 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
IUPAC Name: 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine; 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
SYSTEMATIC NAME: 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethyl-propan-1-amine; 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
MOLECULAR FORMULA: C44H50F3N3OS
MOLECULAR WEIGHT: 725.94751
SMILES: CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C.C1CN(CCN1CC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO
Structure:
CAS RN: 76338-50-6
CAS Name: (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,5S)-3,5-dihydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-hydroxy-2-methyl-3-heptanone
OPENEYE Name: (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,5S)-3,5-dihydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-hydroxy-2-methyl-heptan-3-one
IUPAC Name: (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,5S)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-hydroxy-2-methylheptan-3-one
SYSTEMATIC NAME: (6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-[(2Z)-2-[(3R,5S)-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-2-oxidanyl-heptan-3-one
MOLECULAR FORMULA: C27H42O4
MOLECULAR WEIGHT: 430.61998
SMILES: C[C@H](CCC(=O)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@H](C3=C)O)O)C
Structure:
CAS RN: 76283-04-0
CAS Name: 5-[(E)-dimethylaminoazo]-1-methyl-4-imidazolecarboxamide
OPENEYE Name: 5-[(E)-dimethylaminoazo]-1-methyl-imidazole-4-carboxamide
IUPAC Name: 5-[(E)-dimethylaminodiazenyl]-1-methylimidazole-4-carboxamide
SYSTEMATIC NAME: 5-[(E)-dimethylaminodiazenyl]-1-methyl-imidazole-4-carboxamide
MOLECULAR FORMULA: C7H12N6O
MOLECULAR WEIGHT: 196.20978
SMILES: CN1C=NC(=C1/N=N/N(C)C)C(=O)N
Structure:
CAS RN: 76207-83-5
CAS Name: carbamic acid [(8Z,12E,14E)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester
OPENEYE Name: [(8Z,12E,14E)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
IUPAC Name: [(8Z,12E,14E)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
SYSTEMATIC NAME: [(8Z,12E,14E)-5,11-dimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
MOLECULAR FORMULA: C28H38N2O8
MOLECULAR WEIGHT: 530.60992
SMILES: CC1CC(C(C(/C=C(\C(C(/C=C/C=C(/C(=O)NC2=CC(=O)C=C(C1)C2=O)\C)OC)OC(=O)N)/C)C)O)OC
Structure:
CAS RN: 76166-55-7
CAS Name: N-[4-[(4aR,10bS)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]acetamide; (E)-2-butenedioic acid
OPENEYE Name: N-[4-[(4aR,10bS)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]acetamide; fumaric acid
IUPAC Name: N-[4-[(4aR,10bS)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]acetamide; (E)-but-2-enedioic acid
SYSTEMATIC NAME: N-[4-[(4aR,10bS)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]ethanamide; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C31H35N3O11
MOLECULAR WEIGHT: 625.6231
SMILES: CC(=O)NC1=CC=C(C=C1)C2=N[C@H]3[C@@H](C4=CC(=C(C=C24)OC)OC)CN(CC3)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 76079-03-3
CAS Name: (2S)-6-amino-2-[[(2S)-2-[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-1-oxopropyl]amino]hexanoic acid
OPENEYE Name: (2S)-6-amino-2-[[(2S)-2-[[(E)-3-(2-furyl)prop-2-enoyl]amino]propanoyl]amino]hexanoic acid
IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanoyl]amino]hexanoic acid
SYSTEMATIC NAME: (2S)-6-azanyl-2-[[(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanoyl]amino]hexanoic acid
MOLECULAR FORMULA: C16H23N3O5
MOLECULAR WEIGHT: 337.37092
SMILES: C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)/C=C/C1=CC=CO1
Structure:
CAS RN: 98212-93-2
CAS Name: (E,4S)-4-amino-5-fluoro-2-pentenoic acid
OPENEYE Name: (E,4S)-4-amino-5-fluoro-pent-2-enoic acid
IUPAC Name: (E,4S)-4-amino-5-fluoropent-2-enoic acid
SYSTEMATIC NAME: (E,4S)-4-azanyl-5-fluoranyl-pent-2-enoic acid
MOLECULAR FORMULA: C5H8FNO2
MOLECULAR WEIGHT: 133.120923
SMILES: C([C@H](/C=C/C(=O)O)N)F
Structure:
CAS RN: 98093-82-4
CAS Name: 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-5-hydroxy-6-oxoheptanoic acid
OPENEYE Name: 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-5-hydroxy-6-oxo-heptanoic acid
IUPAC Name: 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-5-hydroxy-6-oxoheptanoic acid
SYSTEMATIC NAME: 7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]-5-oxidanyl-6-oxidanylidene-heptanoic acid
MOLECULAR FORMULA: C20H34O7
MOLECULAR WEIGHT: 386.47976
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CC(=O)C(CCCC(=O)O)O)O)O)O
Structure:
CAS RN: 98066-12-7
CAS Name: 7-[(E)-3-(5,5-dimethyl-4-oxo-2-oxolanyl)but-2-enoxy]-1-benzopyran-2-one
OPENEYE Name: 7-[(E)-3-(5,5-dimethyl-4-oxo-tetrahydrofuran-2-yl)but-2-enoxy]chromen-2-one
IUPAC Name: 7-[(E)-3-(5,5-dimethyl-4-oxooxolan-2-yl)but-2-enoxy]chromen-2-one
SYSTEMATIC NAME: 7-[(E)-3-(5,5-dimethyl-4-oxidanylidene-oxolan-2-yl)but-2-enoxy]chromen-2-one
MOLECULAR FORMULA: C19H20O5
MOLECULAR WEIGHT: 328.3591
SMILES: C/C(=C\COC1=CC2=C(C=C1)C=CC(=O)O2)/C3CC(=O)C(O3)(C)C
Structure:
CAS RN: 98677-35-1
CAS Name: 7-[(1R,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-3,3-dimethyl-2-oxocyclopentyl]-6-oxoheptanoic acid
OPENEYE Name: 7-[(1R,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-3,3-dimethyl-2-oxo-cyclopentyl]-6-oxo-heptanoic acid
IUPAC Name: 7-[(1R,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-3,3-dimethyl-2-oxocyclopentyl]-6-oxoheptanoic acid
SYSTEMATIC NAME: 7-[(1R,5R)-3,3-dimethyl-2-oxidanylidene-5-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]-6-oxidanylidene-heptanoic acid
MOLECULAR FORMULA: C22H36O5
MOLECULAR WEIGHT: 380.51824
SMILES: CCCCC[C@@H](/C=C/[C@H]1CC(C(=O)[C@@H]1CC(=O)CCCCC(=O)O)(C)C)O
Structure:
CAS RN: 98677-34-0
CAS Name: 6-[[(1R,5R)-5-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,3-dimethyl-2-oxocyclopentyl]thio]hexanoic acid
OPENEYE Name: 6-[(1R,5R)-5-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxy-but-1-enyl]-3,3-dimethyl-2-oxo-cyclopentyl]sulfanylhexanoic acid
IUPAC Name: 6-[(1R,5R)-5-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,3-dimethyl-2-oxocyclopentyl]sulfanylhexanoic acid
SYSTEMATIC NAME: 6-[(1R,5R)-5-[(E,3R)-4-(3-chloranylphenoxy)-3-oxidanyl-but-1-enyl]-3,3-dimethyl-2-oxidanylidene-cyclopentyl]sulfanylhexanoic acid
MOLECULAR FORMULA: C23H31ClO5S
MOLECULAR WEIGHT: 455.00724
SMILES: CC1(C[C@@H]([C@H](C1=O)SCCCCCC(=O)O)/C=C/[C@H](COC2=CC(=CC=C2)Cl)O)C
Structure:
CAS RN: 98040-59-6
CAS Name: (5Z)-5-[(2Z)-2-[1-(4,4-difluoro-6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (5Z)-5-[(2Z)-2-[1-(3,3-difluoro-5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (5Z)-5-[(2Z)-2-[1-(4,4-difluoro-6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (5Z)-5-[(2Z)-2-[1-[4,4-bis(fluoranyl)-6-methyl-6-oxidanyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C27H42F2O3
MOLECULAR WEIGHT: 452.617386
SMILES: CC(CC(CC(C)(C)O)(F)F)C1CCC\2C1(CCC/C2=C/C=C\3/CC(CC(C3=C)O)O)C
Structure:
CAS RN: 147612-55-3
CAS Name: (E)-2-hydroxy-5-iodo-2-phenyl-4-pentenoic acid 1-azabicyclo[2.2.2]octan-3-yl ester
OPENEYE Name: quinuclidin-3-yl (E)-2-hydroxy-5-iodo-2-phenyl-pent-4-enoate
IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl (E)-2-hydroxy-5-iodo-2-phenylpent-4-enoate
SYSTEMATIC NAME: 1-azabicyclo[2.2.2]octan-3-yl (E)-5-iodanyl-2-oxidanyl-2-phenyl-pent-4-enoate
MOLECULAR FORMULA: C18H22INO3
MOLECULAR WEIGHT: 427.27665
SMILES: C1CN2CCC1C(C2)OC(=O)C(C/C=C/I)(C3=CC=CC=C3)O
Structure:
CAS RN: 147589-12-6
CAS Name: (1R,4R,5S)-4-hydroxy-4-[(3E,6E)-octa-3,6-dienyl]-6-oxabicyclo[3.1.0]hexan-2-one
OPENEYE Name: (1R,4R,5S)-4-hydroxy-4-[(3E,6E)-octa-3,6-dienyl]-6-oxabicyclo[3.1.0]hexan-2-one
IUPAC Name: (1R,4R,5S)-4-hydroxy-4-[(3E,6E)-octa-3,6-dienyl]-6-oxabicyclo[3.1.0]hexan-2-one
SYSTEMATIC NAME: (1R,4R,5S)-4-[(3E,6E)-octa-3,6-dienyl]-4-oxidanyl-6-oxabicyclo[3.1.0]hexan-2-one
MOLECULAR FORMULA: C13H18O3
MOLECULAR WEIGHT: 222.28022
SMILES: C/C=C/C/C=C/CC[C@]1(CC(=O)[C@H]2[C@@H]1O2)O
Structure:
CAS RN: 146763-56-6
CAS Name: 2-[(6E)-8-hydroxy-3,7-dimethylocta-1,6-dien-3-yl]oxy-6-[(3,4,5-trihydroxy-2-oxanyl)oxymethyl]oxane-3,4,5-triol
OPENEYE Name: 2-[(E)-6-hydroxy-1,5-dimethyl-1-vinyl-hex-4-enoxy]-6-[(3,4,5-trihydroxytetrahydropyran-2-yl)oxymethyl]tetrahydropyran-3,4,5-triol
IUPAC Name: 2-[(6E)-8-hydroxy-3,7-dimethylocta-1,6-dien-3-yl]oxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
SYSTEMATIC NAME: 2-[(6E)-3,7-dimethyl-8-oxidanyl-octa-1,6-dien-3-yl]oxy-6-[[3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol
MOLECULAR FORMULA: C21H36O11
MOLECULAR WEIGHT: 464.50394
SMILES: C/C(=C\CCC(C)(C=C)OC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O)/CO
Structure:
CAS RN: 146713-95-3
CAS Name: (Z)-3-(1,3-benzodioxol-5-yl)-1-(5,7-dimethoxy-2,2-dimethyl-1-benzopyran-6-yl)-3-hydroxy-2-propen-1-one
OPENEYE Name: (Z)-3-(1,3-benzodioxol-5-yl)-1-(5,7-dimethoxy-2,2-dimethyl-chromen-6-yl)-3-hydroxy-prop-2-en-1-one
IUPAC Name: (Z)-3-(1,3-benzodioxol-5-yl)-1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-hydroxyprop-2-en-1-one
SYSTEMATIC NAME: (Z)-3-(1,3-benzodioxol-5-yl)-1-(5,7-dimethoxy-2,2-dimethyl-chromen-6-yl)-3-oxidanyl-prop-2-en-1-one
MOLECULAR FORMULA: C23H22O7
MOLECULAR WEIGHT: 410.41658
SMILES: CC1(C=CC2=C(C(=C(C=C2O1)OC)C(=O)/C=C(/C3=CC4=C(C=C3)OCO4)\O)OC)C
Structure:
CAS RN: 146669-23-0
CAS Name: (E)-3-(2-methylphenyl)-2-propenamide
OPENEYE Name: (E)-3-(o-tolyl)prop-2-enamide
IUPAC Name: (E)-3-(2-methylphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(2-methylphenyl)prop-2-enamide
MOLECULAR FORMULA: C10H11NO
MOLECULAR WEIGHT: 161.20044
SMILES: CC1=CC=CC=C1/C=C/C(=O)N
Structure:
CAS RN: 146388-56-9
CAS Name: [(E,4R)-4-amino-5-ethoxy-2-methyl-5-oxopent-2-enyl]phosphonic acid
OPENEYE Name: [(E,4R)-4-amino-5-ethoxy-2-methyl-5-oxo-pent-2-enyl]phosphonic acid
IUPAC Name: [(E,4R)-4-amino-5-ethoxy-2-methyl-5-oxopent-2-enyl]phosphonic acid
SYSTEMATIC NAME: [(E,4R)-4-azanyl-5-ethoxy-2-methyl-5-oxidanylidene-pent-2-enyl]phosphonic acid
MOLECULAR FORMULA: C8H16NO5P
MOLECULAR WEIGHT: 237.190101
SMILES: CCOC(=O)[C@@H](/C=C(\C)/CP(=O)(O)O)N
Structure:
CAS RN: 146369-87-1
CAS Name: (E)-2,3-dihydroxy-8-(6-pentyl-2-oxanyl)-7-octenoic acid
OPENEYE Name: (E)-2,3-dihydroxy-8-(6-pentyltetrahydropyran-2-yl)oct-7-enoic acid
IUPAC Name: (E)-2,3-dihydroxy-8-(6-pentyloxan-2-yl)oct-7-enoic acid
SYSTEMATIC NAME: (E)-2,3-bis(oxidanyl)-8-(6-pentyloxan-2-yl)oct-7-enoic acid
MOLECULAR FORMULA: C18H32O5
MOLECULAR WEIGHT: 328.44368
SMILES: CCCCCC1CCCC(O1)/C=C/CCCC(C(C(=O)O)O)O
Structure:
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