CAS RN: 62989-90-6
CAS Name: (1S,2E,7S,10E,12R,13R)-12-hydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-diene-9,15-dione
OPENEYE Name: (1S,2E,7S,10E,12R,13R)-12-hydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-diene-9,15-dione
IUPAC Name: (1S,2E,7S,10E,12R,13R)-12-hydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-diene-9,15-dione
SYSTEMATIC NAME: (1S,2E,7S,10E,12R,13R)-7-methyl-12-oxidanyl-8-oxabicyclo[11.3.0]hexadeca-2,10-diene-9,15-dione
MOLECULAR FORMULA: C16H22O4
MOLECULAR WEIGHT: 278.34348
SMILES: C[C@H]1CCC/C=C/[C@@H]2CC(=O)C[C@H]2[C@@H](/C=C/C(=O)O1)O
Structure:
CAS RN: 62926-59-4
CAS Name: (E)-5-(6-methoxy-1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-2-penten-1-one
OPENEYE Name: (E)-5-(6-methoxy-1,3-benzodioxol-5-yl)-1-(1-piperidyl)pent-2-en-1-one
IUPAC Name: (E)-5-(6-methoxy-1,3-benzodioxol-5-yl)-1-piperidin-1-ylpent-2-en-1-one
SYSTEMATIC NAME: (E)-5-(6-methoxy-1,3-benzodioxol-5-yl)-1-piperidin-1-yl-pent-2-en-1-one
MOLECULAR FORMULA: C18H23NO4
MOLECULAR WEIGHT: 317.37952
SMILES: COC1=CC2=C(C=C1CC/C=C/C(=O)N3CCCCC3)OCO2
Structure:
CAS RN: 62896-18-8
CAS Name: (E)-2-[[2-[(2-amino-1-oxopropyl)amino]-3-carboxy-1-oxopropyl]amino]-5-phosphono-3-pentenoic acid
OPENEYE Name: (E)-2-[[2-(2-aminopropanoylamino)-3-carboxy-propanoyl]amino]-5-phosphono-pent-3-enoic acid
IUPAC Name: (E)-2-[[2-(2-aminopropanoylamino)-3-carboxypropanoyl]amino]-5-phosphonopent-3-enoic acid
SYSTEMATIC NAME: (E)-2-[[2-(2-azanylpropanoylamino)-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-phosphono-pent-3-enoic acid
MOLECULAR FORMULA: C12H20N3O9P
MOLECULAR WEIGHT: 381.275661
SMILES: CC(C(=O)NC(CC(=O)O)C(=O)NC(/C=C/CP(=O)(O)O)C(=O)O)N
Structure:
CAS RN: 62896-17-7
CAS Name: (E)-2-[[4-amino-2-[(2-amino-1-oxopropyl)amino]-1,4-dioxobutyl]amino]-5-phosphono-3-pentenoic acid
OPENEYE Name: (E)-2-[[4-amino-2-(2-aminopropanoylamino)-4-oxo-butanoyl]amino]-5-phosphono-pent-3-enoic acid
IUPAC Name: (E)-2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]-5-phosphonopent-3-enoic acid
SYSTEMATIC NAME: (E)-2-[[4-azanyl-2-(2-azanylpropanoylamino)-4-oxidanylidene-butanoyl]amino]-5-phosphono-pent-3-enoic acid
MOLECULAR FORMULA: C12H21N4O8P
MOLECULAR WEIGHT: 380.290901
SMILES: CC(C(=O)NC(CC(=O)N)C(=O)NC(/C=C/CP(=O)(O)O)C(=O)O)N
Structure:
CAS RN: 62770-50-7
CAS Name: 5-[(2S,4R,5R,6aR)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pentanoic acid
OPENEYE Name: 5-[(2S,4R,5R,6aR)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pentanoic acid
IUPAC Name: 5-[(2S,4R,5R,6aR)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pentanoic acid
SYSTEMATIC NAME: 5-[(2S,4R,5R,6aR)-5-oxidanyl-4-[(E,3S)-3-oxidanyloct-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pentanoic acid
MOLECULAR FORMULA: C20H34O5
MOLECULAR WEIGHT: 354.48096
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]2C1C[C@@H](O2)CCCCC(=O)O)O)O
Structure:
CAS RN: 61756-56-7
CAS Name: (2E,4E)-5-(6-methoxy-1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-1-penta-2,4-dienone
OPENEYE Name: (2E,4E)-5-(6-methoxy-1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one
IUPAC Name: (2E,4E)-5-(6-methoxy-1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
SYSTEMATIC NAME: (2E,4E)-5-(6-methoxy-1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one
MOLECULAR FORMULA: C18H21NO4
MOLECULAR WEIGHT: 315.36364
SMILES: COC1=CC2=C(C=C1/C=C/C=C/C(=O)N3CCCCC3)OCO2
Structure:
CAS RN: 61481-30-9
CAS Name: (9E,12E,15E)-octadeca-9,12,15-trien-6-ynoic acid
OPENEYE Name: (9E,12E,15E)-octadeca-9,12,15-trien-6-ynoic acid
IUPAC Name: (9E,12E,15E)-octadeca-9,12,15-trien-6-ynoic acid
SYSTEMATIC NAME: (9E,12E,15E)-octadeca-9,12,15-trien-6-ynoic acid
MOLECULAR FORMULA: C18H26O2
MOLECULAR WEIGHT: 274.39784
SMILES: CC/C=C/C/C=C/C/C=C/CC#CCCCCC(=O)O
Structure:
CAS RN: 61456-25-5
CAS Name: 7-[3,5-dihydroxy-2-[(E)-3-hydroxy-4-phenoxybut-1-enyl]cyclopentyl]hepta-4,5-dienoic acid
OPENEYE Name: 7-[3,5-dihydroxy-2-[(E)-3-hydroxy-4-phenoxy-but-1-enyl]cyclopentyl]hepta-4,5-dienoic acid
IUPAC Name: 7-[3,5-dihydroxy-2-[(E)-3-hydroxy-4-phenoxybut-1-enyl]cyclopentyl]hepta-4,5-dienoic acid
SYSTEMATIC NAME: 7-[3,5-bis(oxidanyl)-2-[(E)-3-oxidanyl-4-phenoxy-but-1-enyl]cyclopentyl]hepta-4,5-dienoic acid
MOLECULAR FORMULA: C22H28O6
MOLECULAR WEIGHT: 388.45412
SMILES: C1C(C(C(C1O)/C=C/C(COC2=CC=CC=C2)O)CC=C=CCCC(=O)O)O
Structure:
CAS RN: 61391-08-0
CAS Name: 4-[(1Z,3Z)-4-(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-2,3-diisocyanobuta-1,3-dienyl]phenol
OPENEYE Name: 4-[(1Z,3Z)-4-(2,2-dimethylchroman-6-yl)-2,3-diisocyano-buta-1,3-dienyl]phenol
IUPAC Name: 4-[(1Z,3Z)-4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2,3-diisocyanobuta-1,3-dienyl]phenol
SYSTEMATIC NAME: 4-[(1Z,3Z)-4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2,3-diisocyano-buta-1,3-dienyl]phenol
MOLECULAR FORMULA: C23H20N2O2
MOLECULAR WEIGHT: 356.4171
SMILES: CC1(CCC2=C(O1)C=CC(=C2)/C=C(/C(=C/C3=CC=C(C=C3)O)/[N+]#[C-])\[N+]#[C-])C
Structure:
CAS RN: 60346-04-5
CAS Name: (2E,6E,9R,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1,9-diol
OPENEYE Name: (2E,6E,9R,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1,9-diol
IUPAC Name: (2E,6E,9R,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1,9-diol
SYSTEMATIC NAME: (2E,6E,9R,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1,9-diol
MOLECULAR FORMULA: C20H34O2
MOLECULAR WEIGHT: 306.48276
SMILES: CC(=CCC/C(=C/[C@@H](C/C(=C/CC/C(=C/CO)/C)/C)O)/C)C
Structure:
CAS RN: 59982-03-5
CAS Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxy-9-methyldeca-1,8-dienyl]-5-oxocyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxy-9-methyl-deca-1,8-dienyl]-5-oxo-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxy-9-methyldeca-1,8-dienyl]-5-oxocyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R)-2-[(1E,3S)-9-methyl-3-oxidanyl-deca-1,8-dienyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C23H36O5
MOLECULAR WEIGHT: 392.52894
SMILES: CC(=CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)O)C
Structure:
CAS RN: 59232-87-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H46N2O11S
MOLECULAR WEIGHT: 738.84364
SMILES: CC1/C=C/C=C(/C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(O/C=C\C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C5=C2SC=N5)O)\C
Structure:
CAS RN: 58717-24-1
CAS Name: (3R,5S,6E,8E,13E,15R,16R,19R)-3,5-dihydroxy-7,15,19-trimethyl-16-propan-2-yl-17,24-dioxa-11,20,25-triazabicyclo[20.2.1]pentacosa-1(25),6,8,13,22-pentaene-12,18,21-trione
OPENEYE Name: (3R,5S,6E,8E,13E,15R,16R,19R)-3,5-dihydroxy-16-isopropyl-7,15,19-trimethyl-17,24-dioxa-11,20,25-triazabicyclo[20.2.1]pentacosa-1(25),6,8,13,22-pentaene-12,18,21-trione
IUPAC Name: (3R,5S,6E,8E,13E,15R,16R,19R)-3,5-dihydroxy-7,15,19-trimethyl-16-propan-2-yl-17,24-dioxa-11,20,25-triazabicyclo[20.2.1]pentacosa-1(25),6,8,13,22-pentaene-12,18,21-trione
SYSTEMATIC NAME: (3R,5S,6E,8E,13E,15R,16R,19R)-7,15,19-trimethyl-3,5-bis(oxidanyl)-16-propan-2-yl-17,24-dioxa-11,20,25-triazabicyclo[20.2.1]pentacosa-1(25),6,8,13,22-pentaene-12,18,21-trione
MOLECULAR FORMULA: C26H37N3O7
MOLECULAR WEIGHT: 503.58788
SMILES: C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](C[C@H](CC2=NC(=CO2)C(=O)N[C@@H](C(=O)O[C@@H]1C(C)C)C)O)O)/C
Structure:
CAS RN: 58670-63-6
CAS Name: (3S,4S,5S,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-17-[(E,2R,5R)-4,5,6-trimethylhept-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,4S,5S,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-17-[(E,1R,4R)-1,3,4,5-tetramethylhex-2-enyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,4S,5S,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-17-[(E,2R,5R)-4,5,6-trimethylhept-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,4S,5S,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-17-[(E,2R,5R)-4,5,6-trimethylhept-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C30H52O
MOLECULAR WEIGHT: 428.73328
SMILES: C[C@H]1[C@@H]2CC[C@H]3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@]2(CC[C@@H]1O)C)C)[C@H](C)/C=C(\C)/[C@H](C)C(C)C
Structure:
CAS RN: 58473-18-0
CAS Name: (E)-1,4-dinitro-2-butene
OPENEYE Name: (E)-1,4-dinitrobut-2-ene
IUPAC Name: (E)-1,4-dinitrobut-2-ene
SYSTEMATIC NAME: (E)-1,4-dinitrobut-2-ene
MOLECULAR FORMULA: C4H6N2O4
MOLECULAR WEIGHT: 146.10144
SMILES: C(/C=C/C[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 55694-83-2
CAS Name: (4R)-4-[[(E)-4-oxopent-2-en-2-yl]amino]-3-isoxazolidinone
OPENEYE Name: (4R)-4-[[(E)-1-methyl-3-oxo-but-1-enyl]amino]isoxazolidin-3-one
IUPAC Name: (4R)-4-[[(E)-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one
SYSTEMATIC NAME: (4R)-4-[[(E)-4-oxidanylidenepent-2-en-2-yl]amino]-1,2-oxazolidin-3-one
MOLECULAR FORMULA: C8H12N2O3
MOLECULAR WEIGHT: 184.19248
SMILES: C/C(=C\C(=O)C)/N[C@@H]1CONC1=O
Structure:
CAS RN: 55444-88-7
CAS Name: 4-[2-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]ethoxy]butanoic acid methyl ester
OPENEYE Name: methyl 4-[2-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-5-phenyl-pent-1-enyl]cyclopentyl]ethoxy]butanoate
IUPAC Name: methyl 4-[2-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]ethoxy]butanoate
SYSTEMATIC NAME: methyl 4-[2-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E)-3-oxidanyl-5-phenyl-pent-1-enyl]cyclopentyl]ethoxy]butanoate
MOLECULAR FORMULA: C23H34O6
MOLECULAR WEIGHT: 406.51246
SMILES: COC(=O)CCCOCC[C@H]1[C@H](C[C@H]([C@@H]1/C=C/C(CCC2=CC=CC=C2)O)O)O
Structure:
CAS RN: 55319-39-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H36O10
MOLECULAR WEIGHT: 628.66504
SMILES: C[C@@H]1[C@H]([C@]2([C@H]3[C@H]4[C@@]1([C@@H]5C=C(C(=O)[C@]5([C@@H]([C@@]6([C@H]4O6)CO)O)O)C)O[C@](O3)(O2)C7=CC=CC=C7)C(=C)C)OC(=O)/C=C/C8=CC=CC=C8
Structure:
CAS RN: 55306-12-2
CAS Name: (2R,3R,5S,6S)-3-bromo-2-[(Z)-3-bromopent-2-enyl]-5-chloro-6-[(E)-pent-2-en-4-ynyl]oxane
OPENEYE Name: (2R,3R,5S,6S)-3-bromo-2-[(Z)-3-bromopent-2-enyl]-5-chloro-6-[(E)-pent-2-en-4-ynyl]tetrahydropyran
IUPAC Name: (2R,3R,5S,6S)-3-bromo-2-[(Z)-3-bromopent-2-enyl]-5-chloro-6-[(E)-pent-2-en-4-ynyl]oxane
SYSTEMATIC NAME: (2R,3R,5S,6S)-3-bromanyl-2-[(Z)-3-bromanylpent-2-enyl]-5-chloranyl-6-[(E)-pent-2-en-4-ynyl]oxane
MOLECULAR FORMULA: C15H19Br2ClO
MOLECULAR WEIGHT: 410.57176
SMILES: CC/C(=C/C[C@@H]1[C@@H](C[C@@H]([C@@H](O1)C/C=C/C#C)Cl)Br)/Br
Structure:
CAS RN: 54992-23-3
CAS Name: sodium 4-[(E)-2-(5-nitro-2-furanyl)ethenyl]benzoate
OPENEYE Name: sodium 4-[(E)-2-(5-nitro-2-furyl)vinyl]benzoate
IUPAC Name: sodium 4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoate
SYSTEMATIC NAME: sodium 4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoate
MOLECULAR FORMULA: C13H8NNaO5
MOLECULAR WEIGHT: 281.19609
SMILES: C1=CC(=CC=C1/C=C/C2=CC=C(O2)[N+](=O)[O-])C(=O)[O-].[Na+]
Structure:
CAS RN: 54794-71-7
CAS Name: (2E,4E)-N-(2-methylpropyl)eicosa-2,4-dienamide
OPENEYE Name: (2E,4E)-N-isobutylicosa-2,4-dienamide
IUPAC Name: (2E,4E)-N-(2-methylpropyl)icosa-2,4-dienamide
SYSTEMATIC NAME: (2E,4E)-N-(2-methylpropyl)icosa-2,4-dienamide
MOLECULAR FORMULA: C24H45NO
MOLECULAR WEIGHT: 363.6202
SMILES: CCCCCCCCCCCCCCC/C=C/C=C/C(=O)NCC(C)C
Structure:
CAS RN: 54313-75-6
CAS Name: (E)-3-phenyl-1-(3-pyridinyl)-2-propen-1-ol
OPENEYE Name: (E)-3-phenyl-1-(3-pyridyl)prop-2-en-1-ol
IUPAC Name: (E)-3-phenyl-1-pyridin-3-ylprop-2-en-1-ol
SYSTEMATIC NAME: (E)-3-phenyl-1-pyridin-3-yl-prop-2-en-1-ol
MOLECULAR FORMULA: C14H13NO
MOLECULAR WEIGHT: 211.25912
SMILES: C1=CC=C(C=C1)/C=C/C(C2=CN=CC=C2)O
Structure:
CAS RN: 53250-57-0
CAS Name: acetic acid [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohex-2-enyl)nona-2,4,6,8-tetraenyl] ester
OPENEYE Name: [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nona-2,4,6,8-tetraenyl] acetate
IUPAC Name: [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nona-2,4,6,8-tetraenyl] acetate
SYSTEMATIC NAME: [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nona-2,4,6,8-tetraenyl] ethanoate
MOLECULAR FORMULA: C22H32O2
MOLECULAR WEIGHT: 328.48828
SMILES: CC1=CCCC(C1/C=C/C(=C/C=C/C(=C/COC(=O)C)/C)/C)(C)C
Structure:
CAS RN: 53216-90-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H27N3O7S
MOLECULAR WEIGHT: 477.53068
SMILES: C[C@@H]1C/C=C\2/C(=O)NC/C=C\C=C/[C@H](C[C@H](CC3=NC(=CO3)C(=O)N[C@H](CS2)C(=O)O1)O)O
Structure:
CAS RN: 1393-90-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H27N3O7S
MOLECULAR WEIGHT: 477.53068
SMILES: C[C@@H]1C/C=C\2/C(=O)NC/C=C\C=C/[C@H](C[C@H](CC3=NC(=CO3)C(=O)N[C@H](CS2)C(=O)O1)O)O
Structure:
CAS RN: 59157-27-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H27N3O7S
MOLECULAR WEIGHT: 477.53068
SMILES: C[C@@H]1C/C=C\2/C(=O)NC/C=C\C=C/[C@H](C[C@H](CC3=NC(=CO3)C(=O)N[C@H](CS2)C(=O)O1)O)O
Structure:
CAS RN: 51906-02-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H38O10
MOLECULAR WEIGHT: 534.59532
SMILES: C[C@H]1C[C@]23C(=O)[C@@H]([C@@H]([C@@H]4[C@@H](C4(C)C)[C@@H]([C@@H](/C(=C\[C@@]2([C@H]1OC(=O)C)O3)/C)OC(=O)C)OC(=O)C)OC(=O)C)C
Structure:
CAS RN: 51020-87-2
CAS Name: 5-[(2R,3R)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrobenzofuran-2-yl]-1,3-benzodioxole
OPENEYE Name: 5-[(2R,3R)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrobenzofuran-2-yl]-1,3-benzodioxole
IUPAC Name: 5-[(2R,3R)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]-1,3-benzodioxole
SYSTEMATIC NAME: 5-[(2R,3R)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]-1,3-benzodioxole
MOLECULAR FORMULA: C20H20O4
MOLECULAR WEIGHT: 324.3704
SMILES: C/C=C/C1=CC2=C(C(=C1)OC)O[C@H]([C@@H]2C)C3=CC4=C(C=C3)OCO4
Structure:
CAS RN: 51005-27-7
CAS Name: 2-amino-1-phenyl-1-propanol; (E)-4-(4-chlorophenoxy)-4-oxo-2-butenoic acid; N,N-dimethyl-3-(2-pyridinyl)-1-propanamine; hydrochloride
OPENEYE Name: 2-amino-1-phenyl-propan-1-ol; (E)-4-(4-chlorophenoxy)-4-oxo-but-2-enoic acid; N,N-dimethyl-3-(2-pyridyl)propan-1-amine; hydrochloride
IUPAC Name: 2-amino-1-phenylpropan-1-ol; (E)-4-(4-chlorophenoxy)-4-oxobut-2-enoic acid; N,N-dimethyl-3-pyridin-2-ylpropan-1-amine; hydrochloride
SYSTEMATIC NAME: 2-azanyl-1-phenyl-propan-1-ol; (E)-4-(4-chloranylphenoxy)-4-oxidanylidene-but-2-enoic acid; N,N-dimethyl-3-pyridin-2-yl-propan-1-amine; hydrochloride
MOLECULAR FORMULA: C29H37Cl2N3O5
MOLECULAR WEIGHT: 578.52718
SMILES: CC(C(C1=CC=CC=C1)O)N.CN(C)CCCC1=CC=CC=N1.C1=CC(=CC=C1OC(=O)/C=C/C(=O)O)Cl.Cl
Structure:
CAS RN: 50982-40-6
CAS Name: (2R,3S)-2-[(3,4-dihydroxyphenyl)methyl]-3-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-2-hydroxybutanedioic acid
OPENEYE Name: (2R,3S)-2-[(3,4-dihydroxyphenyl)methyl]-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxy-butanedioic acid
IUPAC Name: (2R,3S)-2-[(3,4-dihydroxyphenyl)methyl]-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxybutanedioic acid
SYSTEMATIC NAME: (2R,3S)-2-[[3,4-bis(oxidanyl)phenyl]methyl]-3-[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy-2-oxidanyl-butanedioic acid
MOLECULAR FORMULA: C20H18O11
MOLECULAR WEIGHT: 434.35032
SMILES: C1=CC(=C(C=C1C[C@@]([C@@H](C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)(C(=O)O)O)O)O
Structure:
CAS RN: 50816-66-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H28O7
MOLECULAR WEIGHT: 416.46422
SMILES: C/C/1=C\C2C(C(CC3(C(O3)CC1OC(=O)C(=C)C)C)OC(=O)C(=C)C)C(=C)C(=O)O2
Structure:
CAS RN: 50767-79-8
CAS Name: acetic acid [(9Z,11E)-tetradeca-9,11-dienyl] ester
OPENEYE Name: [(9Z,11E)-tetradeca-9,11-dienyl] acetate
IUPAC Name: [(9Z,11E)-tetradeca-9,11-dienyl] acetate
SYSTEMATIC NAME: [(9Z,11E)-tetradeca-9,11-dienyl] ethanoate
MOLECULAR FORMULA: C16H28O2
MOLECULAR WEIGHT: 252.39232
SMILES: CC/C=C/C=C\CCCCCCCCOC(=O)C
Structure:
CAS RN: 49831-05-2
CAS Name: dipotassium disodium 5-[[4-[bis(2-hydroxypropyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxypropyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: dipotassium disodium 5-[[4-[bis(2-hydroxypropyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxypropyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: dipotassium disodium 5-[[4-[bis(2-hydroxypropyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxypropyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: dipotassium disodium 5-[[4-[bis(2-oxidanylpropyl)amino]-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-oxidanylpropyl)amino]-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C44H48K2N12Na2O16S4
MOLECULAR WEIGHT: 1253.35886
SMILES: CC(CN(CC(C)O)C1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)S(=O)(=O)[O-])N(CC(C)O)CC(C)O)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=CC=C(C=C6)S(=O)(=O)[O-])O.[Na+].[Na+].[K+].[K+]
Structure:
CAS RN: 47326-53-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H25N2O2+
MOLECULAR WEIGHT: 325.4247
SMILES: C/C=C\1/C[N+]2([C@H]3C[C@H]1[C@H](C2CC4=C3NC5=C4C=C(C=C5)O)CO)C
Structure:
CAS RN: 170929-45-0
CAS Name: disodium 4-oxo-4-[1-[[(E)-1-oxooctadec-9-enyl]amino]propan-2-yloxy]-3-sulfonatobutanoate
OPENEYE Name: disodium 4-[1-methyl-2-[[(E)-octadec-9-enoyl]amino]ethoxy]-4-oxo-3-sulfonato-butanoate
IUPAC Name: disodium 4-[1-[[(E)-octadec-9-enoyl]amino]propan-2-yloxy]-4-oxo-3-sulfonatobutanoate
SYSTEMATIC NAME: disodium 4-[1-[[(E)-octadec-9-enoyl]amino]propan-2-yloxy]-4-oxidanylidene-3-sulfonato-butanoate
MOLECULAR FORMULA: C25H43NNa2O8S
MOLECULAR WEIGHT: 563.65536
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)NCC(C)OC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 43154-85-4
CAS Name: disodium 4-oxo-4-[1-[[(E)-1-oxooctadec-9-enyl]amino]propan-2-yloxy]-3-sulfonatobutanoate
OPENEYE Name: disodium 4-[1-methyl-2-[[(E)-octadec-9-enoyl]amino]ethoxy]-4-oxo-3-sulfonato-butanoate
IUPAC Name: disodium 4-[1-[[(E)-octadec-9-enoyl]amino]propan-2-yloxy]-4-oxo-3-sulfonatobutanoate
SYSTEMATIC NAME: disodium 4-[1-[[(E)-octadec-9-enoyl]amino]propan-2-yloxy]-4-oxidanylidene-3-sulfonato-butanoate
MOLECULAR FORMULA: C25H43NNa2O8S
MOLECULAR WEIGHT: 563.65536
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)NCC(C)OC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 60224-43-3
CAS Name: disodium 4-oxo-4-[1-[[(E)-1-oxooctadec-9-enyl]amino]propan-2-yloxy]-3-sulfonatobutanoate
OPENEYE Name: disodium 4-[1-methyl-2-[[(E)-octadec-9-enoyl]amino]ethoxy]-4-oxo-3-sulfonato-butanoate
IUPAC Name: disodium 4-[1-[[(E)-octadec-9-enoyl]amino]propan-2-yloxy]-4-oxo-3-sulfonatobutanoate
SYSTEMATIC NAME: disodium 4-[1-[[(E)-octadec-9-enoyl]amino]propan-2-yloxy]-4-oxidanylidene-3-sulfonato-butanoate
MOLECULAR FORMULA: C25H43NNa2O8S
MOLECULAR WEIGHT: 563.65536
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)NCC(C)OC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 65277-57-8
CAS Name: disodium 4-oxo-4-[1-[[(E)-1-oxooctadec-9-enyl]amino]propan-2-yloxy]-3-sulfonatobutanoate
OPENEYE Name: disodium 4-[1-methyl-2-[[(E)-octadec-9-enoyl]amino]ethoxy]-4-oxo-3-sulfonato-butanoate
IUPAC Name: disodium 4-[1-[[(E)-octadec-9-enoyl]amino]propan-2-yloxy]-4-oxo-3-sulfonatobutanoate
SYSTEMATIC NAME: disodium 4-[1-[[(E)-octadec-9-enoyl]amino]propan-2-yloxy]-4-oxidanylidene-3-sulfonato-butanoate
MOLECULAR FORMULA: C25H43NNa2O8S
MOLECULAR WEIGHT: 563.65536
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)NCC(C)OC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:
No comments:
Post a Comment