CAS RN: 19912-61-9
CAS Name: (5E,9E)-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan
OPENEYE Name: (5E,9E)-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan
IUPAC Name: (5E,9E)-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan
SYSTEMATIC NAME: (5E,9E)-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan
MOLECULAR FORMULA: C15H20O
MOLECULAR WEIGHT: 216.3187
SMILES: C/C/1=C\CC2=C(C/C(=C/CC1)/C)OC=C2C
Structure:
CAS RN: 947-59-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H24
MOLECULAR WEIGHT: 204.35106
SMILES: CC1=CC[C@@H]2[C@@H]3[C@H]1[C@]2(CC[C@@H]3C(C)C)C
Structure:
CAS RN: 275-02-5
CAS Name: [1,2,4]triazolo[1,5-a]pyrimidine
OPENEYE Name: [1,2,4]triazolo[1,5-a]pyrimidine
IUPAC Name: [1,2,4]triazolo[1,5-a]pyrimidine
SYSTEMATIC NAME: [1,2,4]triazolo[1,5-a]pyrimidine
MOLECULAR FORMULA: C5H4N4
MOLECULAR WEIGHT: 120.11206
SMILES: C1=CN2C(=NC=N2)N=C1
Structure:
CAS RN: 82679-43-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H22O7
MOLECULAR WEIGHT: 374.38448
SMILES: C[C@@H]1C[C@@H]2[C@@]34COC(=O)[C@]3(O2)C[C@H](C[C@@H]4[C@@]15C[C@H](OC5=O)C6=COC=C6)O
Structure:
CAS RN: 34413-94-0
CAS Name: (1aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-2,5,6,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulen-3-one
OPENEYE Name: (1aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-2,5,6,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulen-3-one
IUPAC Name: (1aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-2,5,6,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulen-3-one
SYSTEMATIC NAME: (1aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-2,5,6,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulen-3-one
MOLECULAR FORMULA: C15H22O
MOLECULAR WEIGHT: 218.33458
SMILES: C[C@@H]1CCC2=C(C(=O)C[C@@H]3[C@H]([C@H]12)C3(C)C)C
Structure:
CAS RN: 123748-56-1
CAS Name: 15-(4-iodanylphenyl)-3-methylpentadecanoic acid
OPENEYE Name: 15-(4-iodanylphenyl)-3-methyl-pentadecanoic acid
IUPAC Name: 15-(4-iodanylphenyl)-3-methylpentadecanoic acid
SYSTEMATIC NAME: 15-(4-iodanylphenyl)-3-methyl-pentadecanoic acid
MOLECULAR FORMULA: C22H35IO2
MOLECULAR WEIGHT: 454.417698
SMILES: CC(CCCCCCCCCCCCC1=CC=C(C=C1)[123I])CC(=O)O
Structure:
CAS RN: 74988-01-5
CAS Name: calcium 9,12-diiodooctadecanoate
OPENEYE Name: calcium 9,12-diiodooctadecanoate
IUPAC Name: calcium 9,12-diiodooctadecanoate
SYSTEMATIC NAME: calcium 9,12-bis(iodanyl)octadecanoate
MOLECULAR FORMULA: C36H66CaI4O4
MOLECULAR WEIGHT: 1110.60272
SMILES: CCCCCCC(CCC(CCCCCCCC(=O)[O-])I)I.CCCCCCC(CCC(CCCCCCCC(=O)[O-])I)I.[Ca+2]
Structure:
CAS RN: 791115-04-3
CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid [5-(diethylamino)-2-methylpent-3-yn-2-yl] ester hydrate hydrochloride
OPENEYE Name: [4-(diethylamino)-1,1-dimethyl-but-2-ynyl] 2-cyclohexyl-2-hydroxy-2-phenyl-acetate hydrate hydrochloride
IUPAC Name: [5-(diethylamino)-2-methylpent-3-yn-2-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate hydrate hydrochloride
SYSTEMATIC NAME: [5-(diethylamino)-2-methyl-pent-3-yn-2-yl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate hydrate hydrochloride
MOLECULAR FORMULA: C24H38ClNO4
MOLECULAR WEIGHT: 440.01582
SMILES: CCN(CC)CC#CC(C)(C)OC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.O.Cl
Structure:
CAS RN: 113712-98-4
CAS Name: 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine
OPENEYE Name: 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine
IUPAC Name: 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine
SYSTEMATIC NAME: 5-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine
MOLECULAR FORMULA: C16H18N4O3S
MOLECULAR WEIGHT: 346.40412
SMILES: CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=CC(=N3)OC
Structure:
CAS RN: 3521-84-4
CAS Name: 3-[[6-(3-carboxy-2,4,6-triiodoanilino)-1,6-dioxohexyl]amino]-2,4,6-triiodobenzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
OPENEYE Name: 3-[[6-(3-carboxy-2,4,6-triiodo-anilino)-6-oxo-hexanoyl]amino]-2,4,6-triiodo-benzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
IUPAC Name: 3-[[6-(3-carboxy-2,4,6-triiodoanilino)-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
SYSTEMATIC NAME: 3-[[6-[[3-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-6-oxidanylidene-hexanoyl]amino]-2,4,6-tris(iodanyl)benzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
MOLECULAR FORMULA: C34H48I6N4O16
MOLECULAR WEIGHT: 1530.18894
SMILES: CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I
Structure:
CAS RN: 75659-08-4
CAS Name: 2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]benzamide hydrochloride
OPENEYE Name: 2-hydroxy-5-[(1R)-1-hydroxy-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl]benzamide hydrochloride
IUPAC Name: 2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]benzamide hydrochloride
SYSTEMATIC NAME: 2-oxidanyl-5-[(1R)-1-oxidanyl-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]benzamide hydrochloride
MOLECULAR FORMULA: C19H25ClN2O3
MOLECULAR WEIGHT: 364.8664
SMILES: C[C@H](CCC1=CC=CC=C1)NC[C@@H](C2=CC(=C(C=C2)O)C(=O)N)O.Cl
Structure:
CAS RN: 70797-11-4
CAS Name: (6R,7R)-7-[[(2R)-2-(4-hydroxyphenyl)-2-[[(6-methyl-4-oxo-1H-pyridin-3-yl)-oxomethyl]amino]-1-oxoethyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7R)-7-[[(2R)-2-(4-hydroxyphenyl)-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7R)-7-[[(2R)-2-(4-hydroxyphenyl)-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-7-[[(2R)-2-(4-hydroxyphenyl)-2-[(6-methyl-4-oxidanylidene-1H-pyridin-3-yl)carbonylamino]ethanoyl]amino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C25H24N8O7S2
MOLECULAR WEIGHT: 612.63746
SMILES: CC1=CC(=O)C(=CN1)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O
Structure:
CAS RN: 5697-56-3
CAS Name: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-carboxy-1-oxopropoxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
OPENEYE Name: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-carboxypropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
IUPAC Name: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-carboxypropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
SYSTEMATIC NAME: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxidanylidene-10-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
MOLECULAR FORMULA: C34H50O7
MOLECULAR WEIGHT: 570.7566
SMILES: C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CCC(=O)O)C)(C)C(=O)O
Structure:
CAS RN: 7421-40-1
CAS Name: disodium (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-carboxylato-1-oxopropoxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
OPENEYE Name: disodium (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-carboxylatopropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
IUPAC Name: disodium (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-carboxylatopropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
SYSTEMATIC NAME: disodium (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-(4-oxidanidyl-4-oxidanylidene-butanoyl)oxy-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
MOLECULAR FORMULA: C34H48Na2O7
MOLECULAR WEIGHT: 614.72026
SMILES: C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CCC(=O)[O-])C)(C)C(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 73803-48-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H20ClN3O3S
MOLECULAR WEIGHT: 369.8663
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2CN(C3)NC(=O)C4=CC(=C(C=C4)Cl)S(=O)(=O)N
Structure:
CAS RN: 7296-30-2
CAS Name: 4-(1,3-benzodioxol-5-yl)butan-2-ylhydrazine hydrochloride
OPENEYE Name: [3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]hydrazine hydrochloride
IUPAC Name: 4-(1,3-benzodioxol-5-yl)butan-2-ylhydrazine hydrochloride
SYSTEMATIC NAME: 4-(1,3-benzodioxol-5-yl)butan-2-yldiazane hydrochloride
MOLECULAR FORMULA: C11H17ClN2O2
MOLECULAR WEIGHT: 244.71788
SMILES: CC(CCC1=CC2=C(C=C1)OCO2)NN.Cl
Structure:
CAS RN: 72590-77-3
CAS Name: butanoic acid [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-[1-oxo-2-(1-oxopropoxy)ethyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-(2-propanoyloxyacetyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate
IUPAC Name: [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-(2-propanoyloxyacetyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate
SYSTEMATIC NAME: [(8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-17-(2-propanoyloxyethanoyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate
MOLECULAR FORMULA: C28H40O7
MOLECULAR WEIGHT: 488.613
SMILES: CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)COC(=O)CC
Structure:
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