Saturday, October 29, 2011

http://ChemLookup.com Compounds




CAS RN: 120193-39-7
CAS Name: (2S)-2-hydroxy-2-[1-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]ethyl]-3-methylbutanoic acid [(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl ester
OPENEYE Name: [(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethyl]-3-methyl-butanoate
IUPAC Name: [(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethyl]-3-methylbutanoate
SYSTEMATIC NAME: [(7S,8R)-7-oxidanyl-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-[1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethyl]-3-methyl-2-oxidanyl-butanoate
MOLECULAR FORMULA: C24H31NO7
MOLECULAR WEIGHT: 445.50544
SMILES: CC(C)[C@](C(C)OC(=O)/C=C/C1=CC=C(C=C1)O)(C(=O)OCC2=CCN3[C@H]2[C@H](CC3)O)O
Structure:

CAS RN: 1263-54-3
CAS Name: 6-[(1E,3E,5E,7E,9E,11E,13E,15Z,17E)-18-(3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
OPENEYE Name: 6-[(1E,3E,5E,7E,9E,11E,13E,15Z,17E)-18-(3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
IUPAC Name: 6-[(1E,3E,5E,7E,9E,11E,13E,15Z,17E)-18-(3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
SYSTEMATIC NAME: 1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15Z,17E)-3,7,12,16-tetramethyl-18-(1,5,5-trimethyl-3-oxidanyl-7-oxabicyclo[4.1.0]heptan-6-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol
MOLECULAR FORMULA: C40H56O4
MOLECULAR WEIGHT: 600.87024
SMILES: C/C(=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C12C(CC(CC1(O2)C)O)(C)C)/C=C/C=C(\C)/C=C/C34C(CC(CC3(O4)C)O)(C)C
Structure:

CAS RN: 133352-30-4
CAS Name: 3-(bromomethyl)-5-chloro-7-[(E)-1-chlorohex-3-en-5-ynyl]-2-ethyl-4-oxepanol
OPENEYE Name: 3-(bromomethyl)-5-chloro-7-[(E)-1-chlorohex-3-en-5-ynyl]-2-ethyl-oxepan-4-ol
IUPAC Name: 3-(bromomethyl)-5-chloro-7-[(E)-1-chlorohex-3-en-5-ynyl]-2-ethyloxepan-4-ol
SYSTEMATIC NAME: 3-(bromomethyl)-5-chloranyl-7-[(E)-1-chloranylhex-3-en-5-ynyl]-2-ethyl-oxepan-4-ol
MOLECULAR FORMULA: C15H21BrCl2O2
MOLECULAR WEIGHT: 384.13604
SMILES: CCC1C(C(C(CC(O1)C(C/C=C/C#C)Cl)Cl)O)CBr
Structure:

CAS RN: 132436-04-5
CAS Name: (3R,4aR,8R,8aR)-8-bromo-3-[(2E,4E)-6-hydroxy-6-methylhepta-2,4-dien-2-yl]-8a-methyl-5-methylene-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol
OPENEYE Name: (1R,4aR,6R,8aR)-1-bromo-6-[(1E,3E)-5-hydroxy-1,5-dimethyl-hexa-1,3-dienyl]-8a-methyl-4-methylene-decalin-4a-ol
IUPAC Name: (3R,4aR,8R,8aR)-8-bromo-3-[(2E,4E)-6-hydroxy-6-methylhepta-2,4-dien-2-yl]-8a-methyl-5-methylidene-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol
SYSTEMATIC NAME: (3R,4aR,8R,8aR)-8-bromanyl-8a-methyl-5-methylidene-3-[(2E,4E)-6-methyl-6-oxidanyl-hepta-2,4-dien-2-yl]-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol
MOLECULAR FORMULA: C20H31BrO2
MOLECULAR WEIGHT: 383.36294
SMILES: C/C(=C\C=C\C(C)(C)O)/[C@@H]1CC[C@]2([C@@H](CCC(=C)[C@@]2(C1)O)Br)C
Structure:

CAS RN: 130047-30-2
CAS Name: (Z)-6-[(2S,4R)-4-[(4-chlorophenyl)sulfonylamino]-1-(3-pyridinylmethyl)-2-pyrrolidinyl]-5-hexenoic acid hydrochloride
OPENEYE Name: (Z)-6-[(2S,4R)-4-[(4-chlorophenyl)sulfonylamino]-1-(3-pyridylmethyl)pyrrolidin-2-yl]hex-5-enoic acid hydrochloride
IUPAC Name: (Z)-6-[(2S,4R)-4-[(4-chlorophenyl)sulfonylamino]-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]hex-5-enoic acid hydrochloride
SYSTEMATIC NAME: (Z)-6-[(2S,4R)-4-[(4-chlorophenyl)sulfonylamino]-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]hex-5-enoic acid hydrochloride
MOLECULAR FORMULA: C22H27Cl2N3O4S
MOLECULAR WEIGHT: 500.43848
SMILES: C1[C@H](CN([C@@H]1/C=C\CCCC(=O)O)CC2=CN=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl.Cl
Structure:

CAS RN: 167678-84-4
CAS Name: (Z)-6-[(2S,4R)-4-[(4-chlorophenyl)sulfonylamino]-1-(3-pyridinylmethyl)-2-pyrrolidinyl]-5-hexenoic acid hydrochloride
OPENEYE Name: (Z)-6-[(2S,4R)-4-[(4-chlorophenyl)sulfonylamino]-1-(3-pyridylmethyl)pyrrolidin-2-yl]hex-5-enoic acid hydrochloride
IUPAC Name: (Z)-6-[(2S,4R)-4-[(4-chlorophenyl)sulfonylamino]-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]hex-5-enoic acid hydrochloride
SYSTEMATIC NAME: (Z)-6-[(2S,4R)-4-[(4-chlorophenyl)sulfonylamino]-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]hex-5-enoic acid hydrochloride
MOLECULAR FORMULA: C22H27Cl2N3O4S
MOLECULAR WEIGHT: 500.43848
SMILES: C1[C@H](CN([C@@H]1/C=C\CCCC(=O)O)CC2=CN=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl.Cl
Structure:

CAS RN: 178895-18-6
CAS Name: (Z)-6-[(2S,4R)-4-[(4-chlorophenyl)sulfonylamino]-1-(3-pyridinylmethyl)-2-pyrrolidinyl]-5-hexenoic acid hydrochloride
OPENEYE Name: (Z)-6-[(2S,4R)-4-[(4-chlorophenyl)sulfonylamino]-1-(3-pyridylmethyl)pyrrolidin-2-yl]hex-5-enoic acid hydrochloride
IUPAC Name: (Z)-6-[(2S,4R)-4-[(4-chlorophenyl)sulfonylamino]-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]hex-5-enoic acid hydrochloride
SYSTEMATIC NAME: (Z)-6-[(2S,4R)-4-[(4-chlorophenyl)sulfonylamino]-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]hex-5-enoic acid hydrochloride
MOLECULAR FORMULA: C22H27Cl2N3O4S
MOLECULAR WEIGHT: 500.43848
SMILES: C1[C@H](CN([C@@H]1/C=C\CCCC(=O)O)CC2=CN=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl.Cl
Structure:

CAS RN: 129829-03-4
CAS Name: (3R,5S,6E)-9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyl-5-tetrazolyl)nona-6,8-dienoic acid
OPENEYE Name: (3R,5S,6E)-9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyltetrazol-5-yl)nona-6,8-dienoic acid
IUPAC Name: (3R,5S,6E)-9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyltetrazol-5-yl)nona-6,8-dienoic acid
SYSTEMATIC NAME: (3R,5S,6E)-9,9-bis(4-fluorophenyl)-8-(1-methyl-1,2,3,4-tetrazol-5-yl)-3,5-bis(oxidanyl)nona-6,8-dienoic acid
MOLECULAR FORMULA: C23H22F2N4O4
MOLECULAR WEIGHT: 456.441986
SMILES: CN1C(=NN=N1)C(=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)/C=C/[C@H](C[C@H](CC(=O)O)O)O
Structure:

CAS RN: 129498-62-0
CAS Name: (2Z,4E)-2-(2-hydroxyphenoxy)hexa-2,4-dienedioic acid
OPENEYE Name: (2Z,4E)-2-(2-hydroxyphenoxy)hexa-2,4-dienedioic acid
IUPAC Name: (2Z,4E)-2-(2-hydroxyphenoxy)hexa-2,4-dienedioic acid
SYSTEMATIC NAME: (2Z,4E)-2-(2-oxidanylphenoxy)hexa-2,4-dienedioic acid
MOLECULAR FORMULA: C12H10O6
MOLECULAR WEIGHT: 250.2042
SMILES: C1=CC=C(C(=C1)O)O/C(=C\C=C\C(=O)O)/C(=O)O
Structure:

CAS RN: 129145-62-6
CAS Name: (E)-2-methyl-2-butenoic acid [(2S,3R,4aR,5S,6R,8S,8aR)-5-[(3aS,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethyl-2-spiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]yl] ester
OPENEYE Name: [(2S,3R,4aR,5S,6R,8S,8aR)-5-[(3aS,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetoxy-8a-(acetoxymethyl)-3-hydroxy-5,6-dimethyl-spiro[decalin-1,2'-oxirane]-2-yl] (E)-2-methylbut-2-enoate
IUPAC Name: [(2S,3R,4aR,5S,6R,8S,8aR)-5-[(3aS,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(2S,3R,4aR,5S,6R,8S,8aR)-5-[(3aS,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-5,6-dimethyl-3-oxidanyl-spiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C29H40O10
MOLECULAR WEIGHT: 548.6219
SMILES: C/C=C(\C)/C(=O)O[C@H]1[C@@H](C[C@@H]2[C@@]([C@@H](C[C@@H]([C@]2(C13CO3)COC(=O)C)OC(=O)C)C)(C)C4C[C@H]5C=CO[C@H]5O4)O
Structure:

CAS RN: 102281-48-1
CAS Name: (1R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [(S)-cyano-(4-fluoro-3-phenoxyphenyl)methyl] ester
OPENEYE Name: [(S)-cyano-(4-fluoro-3-phenoxy-phenyl)methyl] (1R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: [(S)-cyano-(4-fluoro-3-phenoxyphenyl)methyl] (1R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: [(S)-cyano-(4-fluoranyl-3-phenoxy-phenyl)methyl] (1R,3R)-3-[(Z)-2-chloranyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C23H18ClF4NO3
MOLECULAR WEIGHT: 467.840533
SMILES: CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)/C=C(/C(F)(F)F)\Cl)C
Structure:

CAS RN: 101951-99-9
CAS Name: 2-hydroxy-6-[(2R,4S,6S,7E,9S,10S,11E)-2,4,6,10-tetrahydroxy-9,11-dimethyltrideca-7,11-dienyl]-4-pyranone
OPENEYE Name: 2-hydroxy-6-[(2R,4S,6S,7E,9S,10S,11E)-2,4,6,10-tetrahydroxy-9,11-dimethyl-trideca-7,11-dienyl]pyran-4-one
IUPAC Name: 2-hydroxy-6-[(2R,4S,6S,7E,9S,10S,11E)-2,4,6,10-tetrahydroxy-9,11-dimethyltrideca-7,11-dienyl]pyran-4-one
SYSTEMATIC NAME: 2-[(2R,4S,6S,7E,9S,10S,11E)-9,11-dimethyl-2,4,6,10-tetrakis(oxidanyl)trideca-7,11-dienyl]-6-oxidanyl-pyran-4-one
MOLECULAR FORMULA: C20H30O7
MOLECULAR WEIGHT: 382.448
SMILES: C/C=C(\C)/[C@H]([C@@H](C)/C=C/[C@H](C[C@H](C[C@H](CC1=CC(=O)C=C(O1)O)O)O)O)O
Structure:

CAS RN: 101951-98-8
CAS Name: 2-hydroxy-6-[(7E,11E)-2,4,6,10-tetrahydroxy-5,9,11-trimethyltrideca-7,11-dienyl]-4-pyranone
OPENEYE Name: 2-hydroxy-6-[(7E,11E)-2,4,6,10-tetrahydroxy-5,9,11-trimethyl-trideca-7,11-dienyl]pyran-4-one
IUPAC Name: 2-hydroxy-6-[(7E,11E)-2,4,6,10-tetrahydroxy-5,9,11-trimethyltrideca-7,11-dienyl]pyran-4-one
SYSTEMATIC NAME: 2-oxidanyl-6-[(7E,11E)-5,9,11-trimethyl-2,4,6,10-tetrakis(oxidanyl)trideca-7,11-dienyl]pyran-4-one
MOLECULAR FORMULA: C21H32O7
MOLECULAR WEIGHT: 396.47458
SMILES: C/C=C(\C)/C(C(C)/C=C/C(C(C)C(CC(CC1=CC(=O)C=C(O1)O)O)O)O)O
Structure:

CAS RN: 101951-97-7
CAS Name: 2-hydroxy-6-[(2S,3S,4R,5E,7S,8S,9E)-2,4,8-trihydroxy-3,7,9-trimethylundeca-5,9-dienyl]-4-pyranone
OPENEYE Name: 2-hydroxy-6-[(2S,3S,4R,5E,7S,8S,9E)-2,4,8-trihydroxy-3,7,9-trimethyl-undeca-5,9-dienyl]pyran-4-one
IUPAC Name: 2-hydroxy-6-[(2S,3S,4R,5E,7S,8S,9E)-2,4,8-trihydroxy-3,7,9-trimethylundeca-5,9-dienyl]pyran-4-one
SYSTEMATIC NAME: 2-oxidanyl-6-[(2S,3S,4R,5E,7S,8S,9E)-3,7,9-trimethyl-2,4,8-tris(oxidanyl)undeca-5,9-dienyl]pyran-4-one
MOLECULAR FORMULA: C19H28O6
MOLECULAR WEIGHT: 352.42202
SMILES: C/C=C(\C)/[C@H]([C@@H](C)/C=C/[C@H]([C@@H](C)[C@H](CC1=CC(=O)C=C(O1)O)O)O)O
Structure:

CAS RN: 101951-84-2
CAS Name: 2-[(2R,3R,4E,6S,7S,8E)-3,7-dihydroxy-6,8-dimethyldeca-4,8-dien-2-yl]-6-hydroxy-4-pyranone
OPENEYE Name: 2-[(1R,2R,3E,5S,6S,7E)-2,6-dihydroxy-1,5,7-trimethyl-nona-3,7-dienyl]-6-hydroxy-pyran-4-one
IUPAC Name: 2-[(2R,3R,4E,6S,7S,8E)-3,7-dihydroxy-6,8-dimethyldeca-4,8-dien-2-yl]-6-hydroxypyran-4-one
SYSTEMATIC NAME: 2-[(2R,3R,4E,6S,7S,8E)-6,8-dimethyl-3,7-bis(oxidanyl)deca-4,8-dien-2-yl]-6-oxidanyl-pyran-4-one
MOLECULAR FORMULA: C17H24O5
MOLECULAR WEIGHT: 308.36946
SMILES: C/C=C(\C)/[C@H]([C@@H](C)/C=C/[C@H]([C@@H](C)C1=CC(=O)C=C(O1)O)O)O
Structure:

CAS RN: 101915-78-0
CAS Name: (2S,3aR,7aS)-2-[(E,1S)-1-iododec-3-enyl]-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-benzofuran
OPENEYE Name: (2S,3aR,7aS)-2-[(E,1S)-1-iododec-3-enyl]-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-benzofuran
IUPAC Name: (2S,3aR,7aS)-2-[(E,1S)-1-iododec-3-enyl]-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran
SYSTEMATIC NAME: (2S,3aR,7aS)-2-[(E,1S)-1-iodanyldec-3-enyl]-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran
MOLECULAR FORMULA: C19H33IO
MOLECULAR WEIGHT: 404.36919
SMILES: CCCCCC/C=C/C[C@@H]([C@@]1(C[C@H]2CCCC[C@@H]2O1)C)I
Structure:

CAS RN: 94123-02-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C61H104O38
MOLECULAR WEIGHT: 1445.45566
SMILES: CC(C)OC(=O)/C=C(\C)/C=C/CC(C)CCCC(C)(C)OC.C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@
Structure:

CAS RN: 94120-03-3
CAS Name: (2E,4E,6R,7R)-6,7-dihydroxy-2,6-dimethylocta-2,4-dienoic acid methyl ester
OPENEYE Name: methyl (2E,4E,6R,7R)-6,7-dihydroxy-2,6-dimethyl-octa-2,4-dienoate
IUPAC Name: methyl (2E,4E,6R,7R)-6,7-dihydroxy-2,6-dimethylocta-2,4-dienoate
SYSTEMATIC NAME: methyl (2E,4E,6R,7R)-2,6-dimethyl-6,7-bis(oxidanyl)octa-2,4-dienoate
MOLECULAR FORMULA: C11H18O4
MOLECULAR WEIGHT: 214.25822
SMILES: C[C@H]([C@@](C)(/C=C/C=C(\C)/C(=O)OC)O)O
Structure:

CAS RN: 94079-81-9
CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid [6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-2-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxymethyl]-3-oxanyl] ester
OPENEYE Name: [6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
IUPAC Name: [6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [6-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-4-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-5-oxidanyl-oxan-3-yl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate
MOLECULAR FORMULA: C35H46O19
MOLECULAR WEIGHT: 770.72834
SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)O)O)OC4C(C(C(C(O4)C)O)O)O)OC(=O)/C=C/C5=CC(=C(C=C5)O)O)O)O)O
Structure:

CAS RN: 94061-32-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H22N2O
MOLECULAR WEIGHT: 282.38008
SMILES: C/C=C\1/CN2CC[C@@H]1C(C3=C(C2)C4=CC=CC=C4N3)(C)O
Structure:

CAS RN: 94035-77-5
CAS Name: (5E,8Z,11Z,14Z,17Z)-eicosa-5,8,11,14,17-pentaenoic acid [(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] ester
OPENEYE Name: [(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (5E,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
IUPAC Name: [(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (5E,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
SYSTEMATIC NAME: [(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (5E,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
MOLECULAR FORMULA: C40H68O2
MOLECULAR WEIGHT: 580.96672
SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C/CCCC(=O)OC/C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C
Structure:

CAS RN: 93414-35-8
CAS Name: (2R,3S,4S,5R,6S)-5-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)-2-oxolanyl]oxy]-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,4-diol
OPENEYE Name: (2R,3S,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxy-phenoxy]tetrahydropyran-3,4-diol
IUPAC Name: (2R,3S,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,4-diol
SYSTEMATIC NAME: (2R,3S,4S,5R,6S)-6-[2,6-dimethoxy-4-[(E)-3-oxidanylprop-1-enyl]phenoxy]-2-(hydroxymethyl)-5-[(2S,3R,4R)-4-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-oxane-3,4-diol
MOLECULAR FORMULA: C22H32O13
MOLECULAR WEIGHT: 504.48168
SMILES: COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@](CO3)(CO)O)O)OC)/C=C/CO
Structure:

CAS RN: 76057-17-5
CAS Name: (2E,4E,6E,8E)-20-hydroperoxyeicosa-2,4,6,8-tetraenoic acid
OPENEYE Name: (2E,4E,6E,8E)-20-hydroperoxyicosa-2,4,6,8-tetraenoic acid
IUPAC Name: (2E,4E,6E,8E)-20-hydroperoxyicosa-2,4,6,8-tetraenoic acid
SYSTEMATIC NAME: (2E,4E,6E,8E)-20-(dioxidanyl)icosa-2,4,6,8-tetraenoic acid
MOLECULAR FORMULA: C20H32O4
MOLECULAR WEIGHT: 336.46568
SMILES: C(CCCCC/C=C/C=C/C=C/C=C/C(=O)O)CCCCCOO
Structure:

CAS RN: 55058-63-4
CAS Name: (Z)-2-methyl-2-butenoic acid [(4R,4aS,5R,8R,8aR)-8-hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f]benzofuran-4-yl] ester
OPENEYE Name: [(4R,4aS,5R,8R,8aR)-8-hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
IUPAC Name: [(4R,4aS,5R,8R,8aR)-8-hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(4R,4aS,5R,8R,8aR)-3,4a,5-trimethyl-8-oxidanyl-9-oxidanylidene-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C20H26O5
MOLECULAR WEIGHT: 346.41744
SMILES: C/C=C(/C)\C(=O)O[C@H]1C2=C(C(=O)[C@@H]3[C@@]1([C@@H](CC[C@H]3O)C)C)OC=C2C
Structure:

CAS RN: 55038-30-7
CAS Name: (2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)trideca-2,4,12-trienamide
OPENEYE Name: (2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-N-isobutyl-trideca-2,4,12-trienamide
IUPAC Name: (2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)trideca-2,4,12-trienamide
SYSTEMATIC NAME: (2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)trideca-2,4,12-trienamide
MOLECULAR FORMULA: C24H33NO3
MOLECULAR WEIGHT: 383.52372
SMILES: CC(C)CNC(=O)/C=C/C=C/CCCCCC/C=C/C1=CC2=C(C=C1)OCO2
Structure:

CAS RN: 55035-69-3
CAS Name: (Z)-2-methyl-2-butenoic acid [4-hydroxy-2-methyl-5-[(2R)-6-methylhept-5-en-2-yl]-3,6-dioxo-1-cyclohexa-1,4-dienyl] ester
OPENEYE Name: [5-[(1R)-1,5-dimethylhex-4-enyl]-4-hydroxy-2-methyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl] (Z)-2-methylbut-2-enoate
IUPAC Name: [4-hydroxy-2-methyl-5-[(2R)-6-methylhept-5-en-2-yl]-3,6-dioxocyclohexa-1,4-dien-1-yl] (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: [2-methyl-5-[(2R)-6-methylhept-5-en-2-yl]-4-oxidanyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl] (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C20H26O5
MOLECULAR WEIGHT: 346.41744
SMILES: C/C=C(/C)\C(=O)OC1=C(C(=O)C(=C(C1=O)[C@H](C)CCC=C(C)C)O)C
Structure:

CAS RN: 54844-66-5
CAS Name: (E)-6-heneicosen-11-one
OPENEYE Name: (E)-henicos-6-en-11-one
IUPAC Name: (E)-henicos-6-en-11-one
SYSTEMATIC NAME: (E)-henicos-6-en-11-one
MOLECULAR FORMULA: C21H40O
MOLECULAR WEIGHT: 308.5417
SMILES: CCCCCCCCCCC(=O)CCC/C=C/CCCCC
Structure:

CAS RN: 54794-69-3
CAS Name: (2E,4E)-N-(2-methylpropyl)hexadeca-2,4-dienamide
OPENEYE Name: (2E,4E)-N-isobutylhexadeca-2,4-dienamide
IUPAC Name: (2E,4E)-N-(2-methylpropyl)hexadeca-2,4-dienamide
SYSTEMATIC NAME: (2E,4E)-N-(2-methylpropyl)hexadeca-2,4-dienamide
MOLECULAR FORMULA: C20H37NO
MOLECULAR WEIGHT: 307.51388
SMILES: CCCCCCCCCCC/C=C/C=C/C(=O)NCC(C)C
Structure:

CAS RN: 54422-45-6
CAS Name: (Z)-N-(1,3-dihydroxyoctadecan-2-yl)-9-octadecenamide
OPENEYE Name: (Z)-N-[2-hydroxy-1-(hydroxymethyl)heptadecyl]octadec-9-enamide
IUPAC Name: (Z)-N-(1,3-dihydroxyoctadecan-2-yl)octadec-9-enamide
SYSTEMATIC NAME: (Z)-N-[1,3-bis(oxidanyl)octadecan-2-yl]octadec-9-enamide
MOLECULAR FORMULA: C36H71NO3
MOLECULAR WEIGHT: 565.95384
SMILES: CCCCCCCCCCCCCCCC(C(CO)NC(=O)CCCCCCC/C=C\CCCCCCCC)O
Structure:

CAS RN: 54354-59-5
CAS Name: (E)-2-methyl-2-butenoic acid [(1R,3R,5R,6S)-8-methyl-6-(1-oxopropoxy)-8-azabicyclo[3.2.1]octan-3-yl] ester
OPENEYE Name: [(1R,3R,5R,6S)-8-methyl-6-propanoyloxy-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate
IUPAC Name: [(1R,3R,5R,6S)-8-methyl-6-propanoyloxy-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(1R,3R,5R,6S)-8-methyl-6-propanoyloxy-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C16H25NO4
MOLECULAR WEIGHT: 295.374
SMILES: CCC(=O)O[C@H]1C[C@H]2C[C@H](C[C@H]1N2C)OC(=O)/C(=C/C)/C
Structure:

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