CAS RN: 53492-34-5
CAS Name: (2E,6E)-3,7-dimethyl-8-(4-methyl-2-furanyl)octa-2,6-dienoic acid 3-furanylmethyl ester
OPENEYE Name: 3-furylmethyl (2E,6E)-3,7-dimethyl-8-(4-methyl-2-furyl)octa-2,6-dienoate
IUPAC Name: furan-3-ylmethyl (2E,6E)-3,7-dimethyl-8-(4-methylfuran-2-yl)octa-2,6-dienoate
SYSTEMATIC NAME: furan-3-ylmethyl (2E,6E)-3,7-dimethyl-8-(4-methylfuran-2-yl)octa-2,6-dienoate
MOLECULAR FORMULA: C20H24O4
MOLECULAR WEIGHT: 328.40216
SMILES: CC1=COC(=C1)C/C(=C/CC/C(=C/C(=O)OCC2=COC=C2)/C)/C
Structure:
CAS RN: 53309-95-8
CAS Name: (E)-4-phenyl-3-buten-2-amine
OPENEYE Name: (E)-4-phenylbut-3-en-2-amine
IUPAC Name: (E)-4-phenylbut-3-en-2-amine
SYSTEMATIC NAME: (E)-4-phenylbut-3-en-2-amine
MOLECULAR FORMULA: C10H13N
MOLECULAR WEIGHT: 147.21692
SMILES: CC(/C=C/C1=CC=CC=C1)N
Structure:
CAS RN: 53199-29-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C55H72MgN4O6
MOLECULAR WEIGHT: 909.48838
SMILES: C/C=C/1\C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C(=O)C)C(C5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C.[Mg+2]
Structure:
CAS RN: 52940-10-0
CAS Name: acetic acid [(E)-dec-2-en-4,6,8-triynyl] ester
OPENEYE Name: [(E)-dec-2-en-4,6,8-triynyl] acetate
IUPAC Name: [(E)-dec-2-en-4,6,8-triynyl] acetate
SYSTEMATIC NAME: [(E)-dec-2-en-4,6,8-triynyl] ethanoate
MOLECULAR FORMULA: C12H10O2
MOLECULAR WEIGHT: 186.2066
SMILES: CC#CC#CC#C/C=C/COC(=O)C
Structure:
CAS RN: 51744-92-4
CAS Name: (9Z,12Z)-octadeca-9,12-dienoic acid [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl] ester
OPENEYE Name: [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-yl] (9Z,12Z)-octadeca-9,12-dienoate
IUPAC Name: [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] (9Z,12Z)-octadeca-9,12-dienoate
SYSTEMATIC NAME: [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] (9Z,12Z)-octadeca-9,12-dienoate
MOLECULAR FORMULA: C47H80O3
MOLECULAR WEIGHT: 693.1363
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC1=C(C(=C2C(=C1C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C
Structure:
CAS RN: 51261-73-5
CAS Name: (E)-2-methyl-2-butenoic acid [(1R)-7-hydroxy-8-methyl-6-[(E)-2-methyl-1-oxobut-2-enoxy]-8-azabicyclo[3.2.1]octan-3-yl] ester
OPENEYE Name: [(1R)-7-hydroxy-8-methyl-6-[(E)-2-methylbut-2-enoyl]oxy-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate
IUPAC Name: [(1R)-7-hydroxy-8-methyl-6-[(E)-2-methylbut-2-enoyl]oxy-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(1R)-8-methyl-6-[(E)-2-methylbut-2-enoyl]oxy-7-oxidanyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C18H27NO5
MOLECULAR WEIGHT: 337.41068
SMILES: C/C=C(\C)/C(=O)OC1C[C@@H]2C(C(C(C1)N2C)OC(=O)/C(=C/C)/C)O
Structure:
CAS RN: 51020-86-1
CAS Name: 2-methoxy-4-[(2R,3R)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrobenzofuran-2-yl]phenol
OPENEYE Name: 2-methoxy-4-[(2R,3R)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrobenzofuran-2-yl]phenol
IUPAC Name: 2-methoxy-4-[(2R,3R)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
SYSTEMATIC NAME: 2-methoxy-4-[(2R,3R)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
MOLECULAR FORMULA: C20H22O4
MOLECULAR WEIGHT: 326.38628
SMILES: C/C=C/C1=CC2=C(C(=C1)OC)O[C@H]([C@@H]2C)C3=CC(=C(C=C3)O)OC
Structure:
CAS RN: 50489-48-0
CAS Name: (E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-phenyl-2-propen-1-one
OPENEYE Name: (E)-1-(2-hydroxy-3,4,5,6-tetramethoxy-phenyl)-3-phenyl-prop-2-en-1-one
IUPAC Name: (E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-phenylprop-2-en-1-one
SYSTEMATIC NAME: (E)-3-phenyl-1-(2,3,4,5-tetramethoxy-6-oxidanyl-phenyl)prop-2-en-1-one
MOLECULAR FORMULA: C19H20O6
MOLECULAR WEIGHT: 344.3585
SMILES: COC1=C(C(=C(C(=C1C(=O)/C=C/C2=CC=CC=C2)O)OC)OC)OC
Structure:
CAS RN: 50423-15-9
CAS Name: 2-methyl-4-[(4Z,7Z,10E)-pentadeca-4,7,10-trien-2-yl]benzene-1,3-diol
OPENEYE Name: 2-methyl-4-[(3Z,6Z,9E)-1-methyltetradeca-3,6,9-trienyl]benzene-1,3-diol
IUPAC Name: 2-methyl-4-[(4Z,7Z,10E)-pentadeca-4,7,10-trien-2-yl]benzene-1,3-diol
SYSTEMATIC NAME: 2-methyl-4-[(4Z,7Z,10E)-pentadeca-4,7,10-trien-2-yl]benzene-1,3-diol
MOLECULAR FORMULA: C22H32O2
MOLECULAR WEIGHT: 328.48828
SMILES: CCCC/C=C/C/C=C\C/C=C\CC(C)C1=C(C(=C(C=C1)O)C)O
Structure:
CAS RN: 50423-14-8
CAS Name: 2-methyl-4-[(7Z,10E)-pentadeca-7,10-dien-5-yl]benzene-1,3-diol
OPENEYE Name: 4-[(3Z,6E)-1-butylundeca-3,6-dienyl]-2-methyl-benzene-1,3-diol
IUPAC Name: 2-methyl-4-[(7Z,10E)-pentadeca-7,10-dien-5-yl]benzene-1,3-diol
SYSTEMATIC NAME: 2-methyl-4-[(7Z,10E)-pentadeca-7,10-dien-5-yl]benzene-1,3-diol
MOLECULAR FORMULA: C22H34O2
MOLECULAR WEIGHT: 330.50416
SMILES: CCCC/C=C/C/C=C\CC(CCCC)C1=C(C(=C(C=C1)O)C)O
Structure:
CAS RN: 41689-78-5
CAS Name: 8-[(E)-3-hydroxy-3-methylbut-1-enyl]-7-methoxy-2-phenyl-1-benzopyran-4-one
OPENEYE Name: 8-[(E)-3-hydroxy-3-methyl-but-1-enyl]-7-methoxy-2-phenyl-chromen-4-one
IUPAC Name: 8-[(E)-3-hydroxy-3-methylbut-1-enyl]-7-methoxy-2-phenylchromen-4-one
SYSTEMATIC NAME: 7-methoxy-8-[(E)-3-methyl-3-oxidanyl-but-1-enyl]-2-phenyl-chromen-4-one
MOLECULAR FORMULA: C21H20O4
MOLECULAR WEIGHT: 336.3811
SMILES: CC(C)(/C=C/C1=C(C=CC2=C1OC(=CC2=O)C3=CC=CC=C3)OC)O
Structure:
CAS RN: 41556-11-0
CAS Name: 2-[(E)-2-aminopropan-2-ylazo]-2-propanamine
OPENEYE Name: 2-[(E)-(1-amino-1-methyl-ethyl)azo]propan-2-amine
IUPAC Name: 2-[(E)-2-aminopropan-2-yldiazenyl]propan-2-amine
SYSTEMATIC NAME: 2-[(E)-2-azanylpropan-2-yldiazenyl]propan-2-amine
MOLECULAR FORMULA: C6H16N4
MOLECULAR WEIGHT: 144.21804
SMILES: CC(C)(N)/N=N/C(C)(C)N
Structure:
CAS RN: 41096-47-3
CAS Name: (2Z,4E)-3,7,11-trimethyldodeca-2,4-dienoic acid ethyl ester
OPENEYE Name: ethyl (2Z,4E)-3,7,11-trimethyldodeca-2,4-dienoate
IUPAC Name: ethyl (2Z,4E)-3,7,11-trimethyldodeca-2,4-dienoate
SYSTEMATIC NAME: ethyl (2Z,4E)-3,7,11-trimethyldodeca-2,4-dienoate
MOLECULAR FORMULA: C17H30O2
MOLECULAR WEIGHT: 266.4189
SMILES: CCOC(=O)/C=C(/C)\C=C\CC(C)CCCC(C)C
Structure:
CAS RN: 28061-46-3
CAS Name: (2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoic acid methyl ester
OPENEYE Name: methyl (2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoate
IUPAC Name: methyl (2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoate
SYSTEMATIC NAME: methyl (2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoate
MOLECULAR FORMULA: C23H34O2
MOLECULAR WEIGHT: 342.51486
SMILES: CCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)OC
Structure:
CAS RN: 28061-40-7
CAS Name: (E)-1-docosen-1-ol
OPENEYE Name: (E)-docos-1-en-1-ol
IUPAC Name: (E)-docos-1-en-1-ol
SYSTEMATIC NAME: (E)-docos-1-en-1-ol
MOLECULAR FORMULA: C22H44O
MOLECULAR WEIGHT: 324.58416
SMILES: CCCCCCCCCCCCCCCCCCCC/C=C/O
Structure:
CAS RN: 26909-03-5
CAS Name: (E)-3-(2,4-dichlorophenoxy)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-(2,4-dichlorophenoxy)prop-2-enoate
IUPAC Name: ethyl (E)-3-(2,4-dichlorophenoxy)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-[2,4-bis(chloranyl)phenoxy]prop-2-enoate
MOLECULAR FORMULA: C11H10Cl2O3
MOLECULAR WEIGHT: 261.1013
SMILES: CCOC(=O)/C=C/OC1=C(C=C(C=C1)Cl)Cl
Structure:
CAS RN: 26560-24-7
CAS Name: (Z)-2-methyl-2-butenoic acid [(3S,3aR,6Z,10Z,11aS)-4-acetyloxy-3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-3-yl] ester
OPENEYE Name: [(3S,3aR,6Z,10Z,11aS)-4-acetoxy-3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-3-yl] (Z)-2-methylbut-2-enoate
IUPAC Name: [(3S,3aR,6Z,10Z,11aS)-4-acetyloxy-3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-3-yl] (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(3S,3aR,6Z,10Z,11aS)-4-acetyloxy-3,6,10-trimethyl-2-oxidanylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-3-yl] (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C22H30O6
MOLECULAR WEIGHT: 390.47
SMILES: C/C=C(/C)\C(=O)O[C@]1([C@H]2[C@H](/C=C(\CC/C=C(\CC2OC(=O)C)/C)/C)OC1=O)C
Structure:
CAS RN: 26399-27-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H37NO5
MOLECULAR WEIGHT: 491.61848
SMILES: CC1C/C=C/C2C(C(=C)C(C3C2(C(/C=C/C(C1=O)C)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)O
Structure:
CAS RN: 25696-17-7
CAS Name: (Z)-tridec-9-en-12-ynal
OPENEYE Name: (Z)-tridec-9-en-12-ynal
IUPAC Name: (Z)-tridec-9-en-12-ynal
SYSTEMATIC NAME: (Z)-tridec-9-en-12-ynal
MOLECULAR FORMULA: C13H20O
MOLECULAR WEIGHT: 192.2973
SMILES: C#CC/C=C\CCCCCCCC=O
Structure:
CAS RN: 25684-11-1
CAS Name: (Z)-13-hydroperoxy-9-octadecenoic acid
OPENEYE Name: (Z)-13-hydroperoxyoctadec-9-enoic acid
IUPAC Name: (Z)-13-hydroperoxyoctadec-9-enoic acid
SYSTEMATIC NAME: (Z)-13-(dioxidanyl)octadec-9-enoic acid
MOLECULAR FORMULA: C18H34O4
MOLECULAR WEIGHT: 314.46016
SMILES: CCCCCC(CC/C=C\CCCCCCCC(=O)O)OO
Structure:
CAS RN: 25047-20-5
CAS Name: 1-ethenyl-1-[(E)-hex-2-enyl]cyclopropane
OPENEYE Name: 1-[(E)-hex-2-enyl]-1-vinyl-cyclopropane
IUPAC Name: 1-ethenyl-1-[(E)-hex-2-enyl]cyclopropane
SYSTEMATIC NAME: 1-ethenyl-1-[(E)-hex-2-enyl]cyclopropane
MOLECULAR FORMULA: C11H18
MOLECULAR WEIGHT: 150.26062
SMILES: CCC/C=C/CC1(CC1)C=C
Structure:
CAS RN: 24779-38-2
CAS Name: (2E,4E)-1-[(2S,5R)-2,4,5-trimethyl-1-piperazinyl]-1-hexa-2,4-dienone
OPENEYE Name: (2E,4E)-1-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]hexa-2,4-dien-1-one
IUPAC Name: (2E,4E)-1-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]hexa-2,4-dien-1-one
SYSTEMATIC NAME: (2E,4E)-1-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]hexa-2,4-dien-1-one
MOLECULAR FORMULA: C13H22N2O
MOLECULAR WEIGHT: 222.32658
SMILES: C/C=C/C=C/C(=O)N1C[C@H](N(C[C@@H]1C)C)C
Structure:
CAS RN: 24268-41-5
CAS Name: (5Z,9Z)-3,6,10-trimethyl-8,11-dihydro-7H-cyclodeca[b]furan-4-one
OPENEYE Name: (5Z,9Z)-3,6,10-trimethyl-8,11-dihydro-7H-cyclodeca[b]furan-4-one
IUPAC Name: (5Z,9Z)-3,6,10-trimethyl-8,11-dihydro-7H-cyclodeca[b]furan-4-one
SYSTEMATIC NAME: (5Z,9Z)-3,6,10-trimethyl-8,11-dihydro-7H-cyclodeca[b]furan-4-one
MOLECULAR FORMULA: C15H18O2
MOLECULAR WEIGHT: 230.30222
SMILES: C/C/1=C/C(=O)C2=C(C/C(=C\CC1)/C)OC=C2C
Structure:
CAS RN: 23790-83-2
CAS Name: (Z)-2-methyl-2-butenoic acid [(4S,4aR,5S)-3,4a,5-trimethyl-9-oxo-4,5,6,7-tetrahydrobenzo[f]benzofuran-4-yl] ester
OPENEYE Name: [(4S,4aR,5S)-3,4a,5-trimethyl-9-oxo-4,5,6,7-tetrahydrobenzo[f]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
IUPAC Name: [(4S,4aR,5S)-3,4a,5-trimethyl-9-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(4S,4aR,5S)-3,4a,5-trimethyl-9-oxidanylidene-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C20H24O4
MOLECULAR WEIGHT: 328.40216
SMILES: C/C=C(/C)\C(=O)O[C@@H]1C2=C(C(=O)C3=CCC[C@@H]([C@@]13C)C)OC=C2C
Structure:
CAS RN: 21324-99-2
CAS Name: (2E)-2-(6H-benzo[c][1]benzoxepin-11-ylidene)acetaldehyde
OPENEYE Name: (2E)-2-(6H-benzo[c][1]benzoxepin-11-ylidene)acetaldehyde
IUPAC Name: (2E)-2-(6H-benzo[c][1]benzoxepin-11-ylidene)acetaldehyde
SYSTEMATIC NAME: (2E)-2-(6H-benzo[c][1]benzoxepin-11-ylidene)ethanal
MOLECULAR FORMULA: C16H12O2
MOLECULAR WEIGHT: 236.26528
SMILES: C1C2=CC=CC=C2/C(=C\C=O)/C3=CC=CC=C3O1
Structure:
CAS RN: 183063-72-1
CAS Name: (E)-2-butenedioic acid; 3-(8,8-dipropyl-3-azaspiro[4.5]decan-3-yl)-N,N-diethyl-1-propanamine
OPENEYE Name: 3-(8,8-dipropyl-3-azaspiro[4.5]decan-3-yl)-N,N-diethyl-propan-1-amine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 3-(8,8-dipropyl-3-azaspiro[4.5]decan-3-yl)-N,N-diethylpropan-1-amine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-(8,8-dipropyl-3-azaspiro[4.5]decan-3-yl)-N,N-diethyl-propan-1-amine
MOLECULAR FORMULA: C30H52N2O8
MOLECULAR WEIGHT: 568.74248
SMILES: CCCC1(CCC2(CN(CC2)CCCN(CC)CC)CC1)CCC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 134788-16-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H42O12
MOLECULAR WEIGHT: 618.66868
SMILES: C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2C14CO[C@H]([C@H]4[C@]([C@@H]3O)(C)[C@@]56C7C[C@@H]([C@@]5(O6)C)[C@]8(C=CO[C@H]8O7)O)O)C)OC(=O)C
Structure:
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