CAS RN: 71373-33-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H62BrClN2NaO11S+
MOLECULAR WEIGHT: 989.40305
SMILES: CCOC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4C)[C@@H](O2)[C@H](C=C5)O)C=C1.CC1([C@@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)O)C.CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4.[Na+].Cl.Br
Structure:
CAS RN: 71349-44-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H14O6S
MOLECULAR WEIGHT: 334.34376
SMILES: C1/C=C\COC(=O)C2=CC=C(O2)CSCC3=CC=C(O3)C(=O)O1
Structure:
CAS RN: 106686-63-9
CAS Name: [(Z)-2,3-dimethoxyprop-1-enyl]benzene
OPENEYE Name: [(Z)-2,3-dimethoxyprop-1-enyl]benzene
IUPAC Name: [(Z)-2,3-dimethoxyprop-1-enyl]benzene
SYSTEMATIC NAME: [(Z)-2,3-dimethoxyprop-1-enyl]benzene
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: COC/C(=C/C1=CC=CC=C1)/OC
Structure:
CAS RN: 104163-59-9
CAS Name: 4-[(E)-2-(4,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-yl)prop-1-enyl]benzoic acid
OPENEYE Name: 4-[(E)-2-(4,4-dimethyl-6,7-dihydro-5H-benzothiophen-2-yl)prop-1-enyl]benzoic acid
IUPAC Name: 4-[(E)-2-(4,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-yl)prop-1-enyl]benzoic acid
SYSTEMATIC NAME: 4-[(E)-2-(4,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-yl)prop-1-enyl]benzoic acid
MOLECULAR FORMULA: C20H22O2S
MOLECULAR WEIGHT: 326.45248
SMILES: C/C(=C\C1=CC=C(C=C1)C(=O)O)/C2=CC3=C(S2)CCCC3(C)C
Structure:
CAS RN: 71201-25-7
CAS Name: (E)-9-oxo-11-[(2R,3R)-3-pentyl-2-oxiranyl]-10-undecenoic acid methyl ester
OPENEYE Name: methyl (E)-9-oxo-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-10-enoate
IUPAC Name: methyl (E)-9-oxo-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-10-enoate
SYSTEMATIC NAME: methyl (E)-9-oxidanylidene-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-10-enoate
MOLECULAR FORMULA: C19H32O4
MOLECULAR WEIGHT: 324.45498
SMILES: CCCCC[C@@H]1[C@H](O1)/C=C/C(=O)CCCCCCCC(=O)OC
Structure:
CAS RN: 71133-36-3
CAS Name: 1-[(Z)-2,3-dichloroprop-2-enyl]sulfinyl-N,N-di(propan-2-yl)formamide
OPENEYE Name: 1-[(Z)-2,3-dichloroallyl]sulfinyl-N,N-diisopropyl-formamide
IUPAC Name: 1-[(Z)-2,3-dichloroprop-2-enyl]sulfinyl-N,N-di(propan-2-yl)formamide
SYSTEMATIC NAME: 1-[(Z)-2,3-bis(chloranyl)prop-2-enyl]sulfinyl-N,N-di(propan-2-yl)methanamide
MOLECULAR FORMULA: C10H17Cl2NO2S
MOLECULAR WEIGHT: 286.21848
SMILES: CC(C)N(C(C)C)C(=O)S(=O)C/C(=C/Cl)/Cl
Structure:
CAS RN: 71788-20-0
CAS Name: 1-[(Z)-2,3-dichloroprop-2-enyl]sulfinyl-N,N-di(propan-2-yl)formamide
OPENEYE Name: 1-[(Z)-2,3-dichloroallyl]sulfinyl-N,N-diisopropyl-formamide
IUPAC Name: 1-[(Z)-2,3-dichloroprop-2-enyl]sulfinyl-N,N-di(propan-2-yl)formamide
SYSTEMATIC NAME: 1-[(Z)-2,3-bis(chloranyl)prop-2-enyl]sulfinyl-N,N-di(propan-2-yl)methanamide
MOLECULAR FORMULA: C10H17Cl2NO2S
MOLECULAR WEIGHT: 286.21848
SMILES: CC(C)N(C(C)C)C(=O)S(=O)C/C(=C/Cl)/Cl
Structure:
CAS RN: 71113-06-9
CAS Name: acetic acid [(2E,4E)-6-acetyloxy-3,4-bis(4-acetyloxyphenyl)hexa-2,4-dienyl] ester
OPENEYE Name: [(2E,4E)-6-acetoxy-3,4-bis(4-acetoxyphenyl)hexa-2,4-dienyl] acetate
IUPAC Name: [(2E,4E)-6-acetyloxy-3,4-bis(4-acetyloxyphenyl)hexa-2,4-dienyl] acetate
SYSTEMATIC NAME: [(2E,4E)-6-acetyloxy-3,4-bis(4-acetyloxyphenyl)hexa-2,4-dienyl] ethanoate
MOLECULAR FORMULA: C26H26O8
MOLECULAR WEIGHT: 466.47984
SMILES: CC(=O)OC/C=C(/C(=C/COC(=O)C)/C1=CC=C(C=C1)OC(=O)C)\C2=CC=C(C=C2)OC(=O)C
Structure:
CAS RN: 69489-29-8
CAS Name: (E)-1-(2,6-dichlorophenyl)-4-[(dimethylamino)methyl]-1-nonen-3-one hydrochloride
OPENEYE Name: (E)-1-(2,6-dichlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-one hydrochloride
IUPAC Name: (E)-1-(2,6-dichlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-one hydrochloride
SYSTEMATIC NAME: (E)-1-[2,6-bis(chloranyl)phenyl]-4-[(dimethylamino)methyl]non-1-en-3-one hydrochloride
MOLECULAR FORMULA: C18H26Cl3NO
MOLECULAR WEIGHT: 378.76414
SMILES: CCCCCC(CN(C)C)C(=O)/C=C/C1=C(C=CC=C1Cl)Cl.Cl
Structure:
CAS RN: 69396-90-3
CAS Name: N-tert-butyl-1-pyridin-4-ylmethanimine oxide
OPENEYE Name: N-tert-butyl-1-(4-pyridyl)methanimine oxide
IUPAC Name: N-tert-butyl-1-pyridin-4-ylmethanimine oxide
SYSTEMATIC NAME: N-tert-butyl-1-pyridin-4-yl-methanimine oxide
MOLECULAR FORMULA: C10H14N2O
MOLECULAR WEIGHT: 178.23096
SMILES: CC(C)(C)/[N+](=C/C1=CC=NC=C1)/[O-]
Structure:
CAS RN: 29770-83-0
CAS Name: (E)-2-methyl-1,4-dinitro-2-butene
OPENEYE Name: (E)-2-methyl-1,4-dinitro-but-2-ene
IUPAC Name: (E)-2-methyl-1,4-dinitrobut-2-ene
SYSTEMATIC NAME: (E)-2-methyl-1,4-dinitro-but-2-ene
MOLECULAR FORMULA: C5H8N2O4
MOLECULAR WEIGHT: 160.12802
SMILES: C/C(=C\C[N+](=O)[O-])/C[N+](=O)[O-]
Structure:
CAS RN: 28962-26-7
CAS Name: (2E,4E,6E,8E)-tetracosa-2,4,6,8-tetraenoic acid
OPENEYE Name: (2E,4E,6E,8E)-tetracosa-2,4,6,8-tetraenoic acid
IUPAC Name: (2E,4E,6E,8E)-tetracosa-2,4,6,8-tetraenoic acid
SYSTEMATIC NAME: (2E,4E,6E,8E)-tetracosa-2,4,6,8-tetraenoic acid
MOLECULAR FORMULA: C24H40O2
MOLECULAR WEIGHT: 360.5732
SMILES: CCCCCCCCCCCCCCC/C=C/C=C/C=C/C=C/C(=O)O
Structure:
CAS RN: 28836-09-1
CAS Name: (9E,11E,15E)-13-hydroperoxyoctadeca-9,11,15-trienoic acid
OPENEYE Name: (9E,11E,15E)-13-hydroperoxyoctadeca-9,11,15-trienoic acid
IUPAC Name: (9E,11E,15E)-13-hydroperoxyoctadeca-9,11,15-trienoic acid
SYSTEMATIC NAME: (9E,11E,15E)-13-(dioxidanyl)octadeca-9,11,15-trienoic acid
MOLECULAR FORMULA: C18H30O4
MOLECULAR WEIGHT: 310.4284
SMILES: CC/C=C/CC(/C=C/C=C/CCCCCCCC(=O)O)OO
Structure:
CAS RN: 28061-61-2
CAS Name: (15E,18E)-tetracosa-15,18-dienoic acid
OPENEYE Name: (15E,18E)-tetracosa-15,18-dienoic acid
IUPAC Name: (15E,18E)-tetracosa-15,18-dienoic acid
SYSTEMATIC NAME: (15E,18E)-tetracosa-15,18-dienoic acid
MOLECULAR FORMULA: C24H44O2
MOLECULAR WEIGHT: 364.60496
SMILES: CCCCC/C=C/C/C=C/CCCCCCCCCCCCCC(=O)O
Structure:
CAS RN: 27214-40-0
CAS Name: (E)-3-methyl-1-buten-1-ol
OPENEYE Name: (E)-3-methylbut-1-en-1-ol
IUPAC Name: (E)-3-methylbut-1-en-1-ol
SYSTEMATIC NAME: (E)-3-methylbut-1-en-1-ol
MOLECULAR FORMULA: C5H10O
MOLECULAR WEIGHT: 86.1323
SMILES: CC(C)/C=C/O
Structure:
CAS RN: 26444-06-4
CAS Name: (E)-2-tetracosenoic acid
OPENEYE Name: (E)-tetracos-2-enoic acid
IUPAC Name: (E)-tetracos-2-enoic acid
SYSTEMATIC NAME: (E)-tetracos-2-enoic acid
MOLECULAR FORMULA: C24H46O2
MOLECULAR WEIGHT: 366.62084
SMILES: CCCCCCCCCCCCCCCCCCCCC/C=C/C(=O)O
Structure:
CAS RN: 26328-00-7
CAS Name: (Z)-2-butenedioic acid; 2-[4-[(E)-1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]-1-piperazinyl]-N-propan-2-ylacetamide
OPENEYE Name: N-isopropyl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; N-propan-2-yl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; N-propan-2-yl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C25H35N3O9
MOLECULAR WEIGHT: 521.5601
SMILES: CC(C)NC(=O)CN1CCN(CC1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 67450-45-7
CAS Name: (Z)-2-butenedioate; N-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]propanamide
OPENEYE Name: (Z)-but-2-enedioate; N-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]propanamide
IUPAC Name: (Z)-but-2-enedioate; N-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]propanamide
SYSTEMATIC NAME: (Z)-but-2-enedioate; N-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]propanamide
MOLECULAR FORMULA: C20H24Cl2N2O5-2
MOLECULAR WEIGHT: 443.32096
SMILES: CCC(=O)N([C@@H]1CCC[C@H]1N(C)C)C2=CC(=C(C=C2)Cl)Cl.C(=C\C(=O)[O-])\C(=O)[O-]
Structure:
CAS RN: 65201-92-5
CAS Name: 3-[(E)-2-(1-ethyl-2-quinolin-1-iumyl)ethenyl]-N,N-dimethylaniline chloride
OPENEYE Name: 3-[(E)-2-(1-ethylquinolin-1-ium-2-yl)vinyl]-N,N-dimethyl-aniline chloride
IUPAC Name: 3-[(E)-2-(1-ethylquinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline chloride
SYSTEMATIC NAME: 3-[(E)-2-(1-ethylquinolin-1-ium-2-yl)ethenyl]-N,N-dimethyl-aniline chloride
MOLECULAR FORMULA: C21H23ClN2
MOLECULAR WEIGHT: 338.87372
SMILES: CC[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC(=CC=C3)N(C)C.[Cl-]
Structure:
CAS RN: 25155-13-9
CAS Name: (Z)-18-hydroperoxy-9-octadecenoic acid methyl ester
OPENEYE Name: methyl (Z)-18-hydroperoxyoctadec-9-enoate
IUPAC Name: methyl (Z)-18-hydroperoxyoctadec-9-enoate
SYSTEMATIC NAME: methyl (Z)-18-(dioxidanyl)octadec-9-enoate
MOLECULAR FORMULA: C19H36O4
MOLECULAR WEIGHT: 328.48674
SMILES: COC(=O)CCCCCCC/C=C\CCCCCCCCOO
Structure:
CAS RN: 65201-94-7
CAS Name: [4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-trimethylammonium chloride
OPENEYE Name: [4-[(E)-2-[4-(dimethylamino)phenyl]vinyl]phenyl]-trimethyl-ammonium chloride
IUPAC Name: [4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-trimethylazanium chloride
SYSTEMATIC NAME: [4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-trimethyl-azanium chloride
MOLECULAR FORMULA: C19H25ClN2
MOLECULAR WEIGHT: 316.8682
SMILES: CN(C)C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)[N+](C)(C)C.[Cl-]
Structure:
CAS RN: 64895-21-2
CAS Name: (E)-3-[4-(9-acridinylamino)phenyl]-2-propenamide hydrochloride
OPENEYE Name: (E)-3-[4-(acridin-9-ylamino)phenyl]prop-2-enamide hydrochloride
IUPAC Name: (E)-3-[4-(acridin-9-ylamino)phenyl]prop-2-enamide hydrochloride
SYSTEMATIC NAME: (E)-3-[4-(acridin-9-ylamino)phenyl]prop-2-enamide hydrochloride
MOLECULAR FORMULA: C22H18ClN3O
MOLECULAR WEIGHT: 375.85082
SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)/C=C/C(=O)N.Cl
Structure:
CAS RN: 64895-13-2
CAS Name: (E)-3-[4-(9-acridinylamino)-3-methoxyphenyl]-2-propenoic acid hydrochloride
OPENEYE Name: (E)-3-[4-(acridin-9-ylamino)-3-methoxy-phenyl]prop-2-enoic acid hydrochloride
IUPAC Name: (E)-3-[4-(acridin-9-ylamino)-3-methoxyphenyl]prop-2-enoic acid hydrochloride
SYSTEMATIC NAME: (E)-3-[4-(acridin-9-ylamino)-3-methoxy-phenyl]prop-2-enoic acid hydrochloride
MOLECULAR FORMULA: C23H19ClN2O3
MOLECULAR WEIGHT: 406.86156
SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)O)NC2=C3C=CC=CC3=NC4=CC=CC=C42.Cl
Structure:
CAS RN: 64895-07-4
CAS Name: (E)-3-[2-(9-acridinylamino)phenyl]-2-propenoic acid hydrochloride
OPENEYE Name: (E)-3-[2-(acridin-9-ylamino)phenyl]prop-2-enoic acid hydrochloride
IUPAC Name: (E)-3-[2-(acridin-9-ylamino)phenyl]prop-2-enoic acid hydrochloride
SYSTEMATIC NAME: (E)-3-[2-(acridin-9-ylamino)phenyl]prop-2-enoic acid hydrochloride
MOLECULAR FORMULA: C22H17ClN2O2
MOLECULAR WEIGHT: 376.83558
SMILES: C1=CC=C(C(=C1)/C=C/C(=O)O)NC2=C3C=CC=CC3=NC4=CC=CC=C42.Cl
Structure:
CAS RN: 64895-04-1
CAS Name: (E)-3-[3-(9-acridinylamino)phenyl]-2-propenoic acid hydrochloride
OPENEYE Name: (E)-3-[3-(acridin-9-ylamino)phenyl]prop-2-enoic acid hydrochloride
IUPAC Name: (E)-3-[3-(acridin-9-ylamino)phenyl]prop-2-enoic acid hydrochloride
SYSTEMATIC NAME: (E)-3-[3-(acridin-9-ylamino)phenyl]prop-2-enoic acid hydrochloride
MOLECULAR FORMULA: C22H17ClN2O2
MOLECULAR WEIGHT: 376.83558
SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=CC(=C4)/C=C/C(=O)O.Cl
Structure:
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