CAS RN: 42790-35-2
CAS Name: N-(4-ethylphenyl)-1-phenylmethanimine oxide
OPENEYE Name: N-(4-ethylphenyl)-1-phenyl-methanimine oxide
IUPAC Name: N-(4-ethylphenyl)-1-phenylmethanimine oxide
SYSTEMATIC NAME: N-(4-ethylphenyl)-1-phenyl-methanimine oxide
MOLECULAR FORMULA: C15H15NO
MOLECULAR WEIGHT: 225.2857
SMILES: CCC1=CC=C(C=C1)/[N+](=C/C2=CC=CC=C2)/[O-]
Structure:
CAS RN: 41930-15-8
CAS Name: 1-hydroxy-2-[(E)-(1-hydroxy-4-imino-5,5-dimethyl-2-imidazolyl)azo]-5,5-dimethyl-4-imidazolimine
OPENEYE Name: 1-hydroxy-2-[(E)-(1-hydroxy-4-imino-5,5-dimethyl-imidazol-2-yl)azo]-5,5-dimethyl-imidazol-4-imine
IUPAC Name: 1-hydroxy-2-[(E)-(1-hydroxy-4-imino-5,5-dimethylimidazol-2-yl)diazenyl]-5,5-dimethylimidazol-4-imine
SYSTEMATIC NAME: 2-[(E)-(4-azanylidene-5,5-dimethyl-1-oxidanyl-imidazol-2-yl)diazenyl]-5,5-dimethyl-1-oxidanyl-imidazol-4-imine
MOLECULAR FORMULA: C10H16N8O2
MOLECULAR WEIGHT: 280.28644
SMILES: CC1(C(=N)N=C(N1O)/N=N/C2=NC(=N)C(N2O)(C)C)C
Structure:
CAS RN: 41744-39-2
CAS Name: (2R,3R)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrobenzofuran
OPENEYE Name: (2R,3R)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrobenzofuran
IUPAC Name: (2R,3R)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran
SYSTEMATIC NAME: (2R,3R)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran
MOLECULAR FORMULA: C21H24O4
MOLECULAR WEIGHT: 340.41286
SMILES: C/C=C/C1=CC2=C(C(=C1)OC)O[C@H]([C@@H]2C)C3=CC(=C(C=C3)OC)OC
Structure:
CAS RN: 41267-43-0
CAS Name: hexasodium 2-[[4-[4-[(E)-2-[4-[[4-(2,5-disulfonatoanilino)-6-phenoxy-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-6-phenoxy-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
OPENEYE Name: hexasodium 2-[[4-[4-[(E)-2-[4-[[4-(2,5-disulfonatoanilino)-6-phenoxy-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]-3-sulfonato-anilino]-6-phenoxy-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
IUPAC Name: hexasodium 2-[[4-[4-[(E)-2-[4-[[4-(2,5-disulfonatoanilino)-6-phenoxy-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-6-phenoxy-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
SYSTEMATIC NAME: hexasodium 2-[[4-[[4-[(E)-2-[4-[[4-[(2,5-disulfonatophenyl)amino]-6-phenoxy-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]-3-sulfonato-phenyl]amino]-6-phenoxy-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
MOLECULAR FORMULA: C44H28N10Na6O20S6
MOLECULAR WEIGHT: 1347.07674
SMILES: C1=CC=C(C=C1)OC2=NC(=NC(=N2)NC3=C(C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=CC(=C(C=C4)/C=C/C5=C(C=C(C=C5)NC6=NC(=NC(=N6)OC7=CC=CC=C7)NC8=C(C=CC(=C8)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 41062-73-1
CAS Name: 4-methoxy-N-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]aniline sulfate
OPENEYE Name: 4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]aniline sulfate
IUPAC Name: 4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline sulfate
SYSTEMATIC NAME: 4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline sulfate
MOLECULAR FORMULA: C40H46N4O6S
MOLECULAR WEIGHT: 710.88144
SMILES: CC1(C(=[N+](C2=CC=CC=C12)C)/C=C/NC3=CC=C(C=C3)OC)C.CC1(C(=[N+](C2=CC=CC=C12)C)/C=C/NC3=CC=C(C=C3)OC)C.[O-]S(=O)(=O)[O-]
Structure:
CAS RN: 41060-37-1
CAS Name: 3-pyridinecarboxylic acid [(1S)-1-[(3S,9R,10R,12R,13R,14R,17R)-3,8,14,17-tetrahydroxy-10,13-dimethyl-12-[(E)-1-oxo-3-phenylprop-2-enoxy]-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] ester
OPENEYE Name: [(1S)-1-[(3S,9R,10R,12R,13R,14R,17R)-3,8,14,17-tetrahydroxy-10,13-dimethyl-12-[(E)-3-phenylprop-2-enoyl]oxy-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] pyridine-3-carboxylate
IUPAC Name: [(1S)-1-[(3S,9R,10R,12R,13R,14R,17R)-3,8,14,17-tetrahydroxy-10,13-dimethyl-12-[(E)-3-phenylprop-2-enoyl]oxy-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] pyridine-3-carboxylate
SYSTEMATIC NAME: [(1S)-1-[(3S,9R,10R,12R,13R,14R,17R)-10,13-dimethyl-3,8,14,17-tetrakis(oxidanyl)-12-[(E)-3-phenylprop-2-enoyl]oxy-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] pyridine-3-carboxylate
MOLECULAR FORMULA: C36H43NO8
MOLECULAR WEIGHT: 617.72852
SMILES: C[C@@H]([C@]1(CC[C@]2([C@@]1([C@@H](C[C@H]3C2(CC=C4[C@@]3(CC[C@@H](C4)O)C)O)OC(=O)/C=C/C5=CC=CC=C5)C)O)O)OC(=O)C6=CN=CC=C6
Structure:
CAS RN: 40853-87-0
CAS Name: (Z)-9-tetradecen-1-amine
OPENEYE Name: (Z)-tetradec-9-en-1-amine
IUPAC Name: (Z)-tetradec-9-en-1-amine
SYSTEMATIC NAME: (Z)-tetradec-9-en-1-amine
MOLECULAR FORMULA: C14H29N
MOLECULAR WEIGHT: 211.38676
SMILES: CCCC/C=C\CCCCCCCCN
Structure:
CAS RN: 40834-96-6
CAS Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-methoxyoct-1-enyl]cyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-methoxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-methoxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-3-methoxyoct-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C21H36O5
MOLECULAR WEIGHT: 368.50754
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)OC
Structure:
CAS RN: 40165-68-2
CAS Name: (Z)-N-[(E)-octadec-9-enyl]-9-octadecen-1-amine
OPENEYE Name: (Z)-N-[(E)-octadec-9-enyl]octadec-9-en-1-amine
IUPAC Name: (Z)-N-[(E)-octadec-9-enyl]octadec-9-en-1-amine
SYSTEMATIC NAME: (Z)-N-[(E)-octadec-9-enyl]octadec-9-en-1-amine
MOLECULAR FORMULA: C36H71N
MOLECULAR WEIGHT: 517.95564
SMILES: CCCCCCCC/C=C/CCCCCCCCNCCCCCCCC/C=C\CCCCCCCC
Structure:
CAS RN: 39776-48-2
CAS Name: 2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-3-methylnaphthalene-1,4-diol
OPENEYE Name: 2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-3-methyl-naphthalene-1,4-diol
IUPAC Name: 2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-3-methylnaphthalene-1,4-diol
SYSTEMATIC NAME: 2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-3-methyl-naphthalene-1,4-diol
MOLECULAR FORMULA: C41H58O2
MOLECULAR WEIGHT: 582.89802
SMILES: CC1=C(C2=CC=CC=C2C(=C1C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)O
Structure:
CAS RN: 39776-45-9
CAS Name: 2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene-1,4-diol
OPENEYE Name: 2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene-1,4-diol
IUPAC Name: 2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene-1,4-diol
SYSTEMATIC NAME: 2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene-1,4-diol
MOLECULAR FORMULA: C31H42O2
MOLECULAR WEIGHT: 446.66398
SMILES: CC1=C(C2=CC=CC=C2C(=C1C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)O
Structure:
CAS RN: 39703-09-8
CAS Name: 2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]benzene-1,4-diol
OPENEYE Name: 2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]benzene-1,4-diol
IUPAC Name: 2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]benzene-1,4-diol
SYSTEMATIC NAME: 2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]benzene-1,4-diol
MOLECULAR FORMULA: C26H38O2
MOLECULAR WEIGHT: 382.57872
SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C=CC(=C1)O)O)/C)/C)/C)C
Structure:
CAS RN: 39382-27-9
CAS Name: (E)-2-butenedioic acid; 2,2-dimethylpropane-1,3-diol; 3-[4-[2-[4-(3-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-1-propanol
OPENEYE Name: 2,2-dimethylpropane-1,3-diol; fumaric acid; 3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-1-methyl-ethyl]phenoxy]propan-1-ol
IUPAC Name: (E)-but-2-enedioic acid; 2,2-dimethylpropane-1,3-diol; 3-[4-[2-[4-(3-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-1-ol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2,2-dimethylpropane-1,3-diol; 3-[4-[2-[4-(3-oxidanylpropoxy)phenyl]propan-2-yl]phenoxy]propan-1-ol
MOLECULAR FORMULA: C30H44O10
MOLECULAR WEIGHT: 564.66436
SMILES: CC(C)(CO)CO.CC(C)(C1=CC=C(C=C1)OCCCO)C2=CC=C(C=C2)OCCCO.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 135732-57-9
CAS Name: (E)-2-butenedioic acid; 3-[4-[2-[4-(3-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-1-propanol
OPENEYE Name: fumaric acid; 3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-1-methyl-ethyl]phenoxy]propan-1-ol
IUPAC Name: (E)-but-2-enedioic acid; 3-[4-[2-[4-(3-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-1-ol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-[4-[2-[4-(3-oxidanylpropoxy)phenyl]propan-2-yl]phenoxy]propan-1-ol
MOLECULAR FORMULA: C25H32O8
MOLECULAR WEIGHT: 460.51678
SMILES: CC(C)(C1=CC=C(C=C1)OCCCO)C2=CC=C(C=C2)OCCCO.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 177895-12-4
CAS Name: (E)-2-butenedioic acid; 3-[4-[2-[4-(3-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-1-propanol
OPENEYE Name: fumaric acid; 3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-1-methyl-ethyl]phenoxy]propan-1-ol
IUPAC Name: (E)-but-2-enedioic acid; 3-[4-[2-[4-(3-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-1-ol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-[4-[2-[4-(3-oxidanylpropoxy)phenyl]propan-2-yl]phenoxy]propan-1-ol
MOLECULAR FORMULA: C25H32O8
MOLECULAR WEIGHT: 460.51678
SMILES: CC(C)(C1=CC=C(C=C1)OCCCO)C2=CC=C(C=C2)OCCCO.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 37228-02-7
CAS Name: (E)-2-butenedioic acid; 3-[4-[2-[4-(3-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-1-propanol
OPENEYE Name: fumaric acid; 3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-1-methyl-ethyl]phenoxy]propan-1-ol
IUPAC Name: (E)-but-2-enedioic acid; 3-[4-[2-[4-(3-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-1-ol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-[4-[2-[4-(3-oxidanylpropoxy)phenyl]propan-2-yl]phenoxy]propan-1-ol
MOLECULAR FORMULA: C25H32O8
MOLECULAR WEIGHT: 460.51678
SMILES: CC(C)(C1=CC=C(C=C1)OCCCO)C2=CC=C(C=C2)OCCCO.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 39382-25-7
CAS Name: (E)-2-butenedioic acid; 3-[4-[2-[4-(3-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-1-propanol
OPENEYE Name: fumaric acid; 3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-1-methyl-ethyl]phenoxy]propan-1-ol
IUPAC Name: (E)-but-2-enedioic acid; 3-[4-[2-[4-(3-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-1-ol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-[4-[2-[4-(3-oxidanylpropoxy)phenyl]propan-2-yl]phenoxy]propan-1-ol
MOLECULAR FORMULA: C25H32O8
MOLECULAR WEIGHT: 460.51678
SMILES: CC(C)(C1=CC=C(C=C1)OCCCO)C2=CC=C(C=C2)OCCCO.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 54018-76-7
CAS Name: (E)-2-butenedioic acid; 3-[4-[2-[4-(3-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-1-propanol
OPENEYE Name: fumaric acid; 3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-1-methyl-ethyl]phenoxy]propan-1-ol
IUPAC Name: (E)-but-2-enedioic acid; 3-[4-[2-[4-(3-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-1-ol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-[4-[2-[4-(3-oxidanylpropoxy)phenyl]propan-2-yl]phenoxy]propan-1-ol
MOLECULAR FORMULA: C25H32O8
MOLECULAR WEIGHT: 460.51678
SMILES: CC(C)(C1=CC=C(C=C1)OCCCO)C2=CC=C(C=C2)OCCCO.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 39189-74-7
CAS Name: (2E)-2-heptylidene-1-cyclopentanone
OPENEYE Name: (2E)-2-heptylidenecyclopentanone
IUPAC Name: (2E)-2-heptylidenecyclopentan-1-one
SYSTEMATIC NAME: (2E)-2-heptylidenecyclopentan-1-one
MOLECULAR FORMULA: C12H20O
MOLECULAR WEIGHT: 180.2866
SMILES: CCCCCC/C=C/1\CCCC1=O
Structure:
CAS RN: 119431-85-5
CAS Name: 5-methoxy-2,3,3-trimethyl-1-[(2Z)-2-(1,3,3-trimethyl-2-indolylidene)ethylidene]-2H-indol-1-ium chloride
OPENEYE Name: 5-methoxy-2,3,3-trimethyl-1-[(2Z)-2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]indolin-1-ium chloride
IUPAC Name: 5-methoxy-2,3,3-trimethyl-1-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-2H-indol-1-ium chloride
SYSTEMATIC NAME: 5-methoxy-2,3,3-trimethyl-1-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-2H-indol-1-ium chloride
MOLECULAR FORMULA: C25H31ClN2O
MOLECULAR WEIGHT: 410.97944
SMILES: CC1C(C2=C([N+]1=C/C=C\3/C(C4=CC=CC=C4N3C)(C)C)C=CC(=C2)OC)(C)C.[Cl-]
Structure:
CAS RN: 38926-38-4
CAS Name: 5-methoxy-2,3,3-trimethyl-1-[(2Z)-2-(1,3,3-trimethyl-2-indolylidene)ethylidene]-2H-indol-1-ium chloride
OPENEYE Name: 5-methoxy-2,3,3-trimethyl-1-[(2Z)-2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]indolin-1-ium chloride
IUPAC Name: 5-methoxy-2,3,3-trimethyl-1-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-2H-indol-1-ium chloride
SYSTEMATIC NAME: 5-methoxy-2,3,3-trimethyl-1-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-2H-indol-1-ium chloride
MOLECULAR FORMULA: C25H31ClN2O
MOLECULAR WEIGHT: 410.97944
SMILES: CC1C(C2=C([N+]1=C/C=C\3/C(C4=CC=CC=C4N3C)(C)C)C=CC(=C2)OC)(C)C.[Cl-]
Structure:
CAS RN: 38462-27-0
CAS Name: 4-[(4Z)-5,9-dimethyldeca-4,8-dien-2-yl]pyridine
OPENEYE Name: 4-[(3Z)-1,4,8-trimethylnona-3,7-dienyl]pyridine
IUPAC Name: 4-[(4Z)-5,9-dimethyldeca-4,8-dien-2-yl]pyridine
SYSTEMATIC NAME: 4-[(4Z)-5,9-dimethyldeca-4,8-dien-2-yl]pyridine
MOLECULAR FORMULA: C17H25N
MOLECULAR WEIGHT: 243.3871
SMILES: CC(C/C=C(/C)\CCC=C(C)C)C1=CC=NC=C1
Structure:
CAS RN: 38462-26-9
CAS Name: 4-[(4E)-5,9-dimethyldeca-4,8-dien-2-yl]pyridine
OPENEYE Name: 4-[(3E)-1,4,8-trimethylnona-3,7-dienyl]pyridine
IUPAC Name: 4-[(4E)-5,9-dimethyldeca-4,8-dien-2-yl]pyridine
SYSTEMATIC NAME: 4-[(4E)-5,9-dimethyldeca-4,8-dien-2-yl]pyridine
MOLECULAR FORMULA: C17H25N
MOLECULAR WEIGHT: 243.3871
SMILES: CC(C/C=C(\C)/CCC=C(C)C)C1=CC=NC=C1
Structure:
CAS RN: 38355-75-8
CAS Name: (Z)-2-butenedioic acid; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methyloxirane
OPENEYE Name: 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; maleic acid; 2-methyloxirane
IUPAC Name: (Z)-but-2-enedioic acid; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methyloxirane
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methyloxirane
MOLECULAR FORMULA: C22H26O7
MOLECULAR WEIGHT: 402.43764
SMILES: CC1CO1.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 38116-89-1
CAS Name: 6-[(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-5-[(E)-2-phenylethenyl]-1H-tetrazol-2-ium-3-yl]phthalazine-1,4-dione chloride
OPENEYE Name: 6-[(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-5-[(E)-styryl]-1H-tetrazol-2-ium-3-yl]phthalazine-1,4-dione chloride
IUPAC Name: 6-[(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-5-[(E)-2-phenylethenyl]-1H-tetrazol-2-ium-3-yl]phthalazine-1,4-dione chloride
SYSTEMATIC NAME: 6-[(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-5-[(E)-2-phenylethenyl]-1H-1,2,3,4-tetrazol-2-ium-3-yl]phthalazine-1,4-dione chloride
MOLECULAR FORMULA: C24H16ClN7O2S
MOLECULAR WEIGHT: 501.94754
SMILES: C1=CC=C(C=C1)/C=C/C2=NN(/[N+](=C/3\NC4=CC=CC=C4S3)/N2)C5=CC6=C(C=C5)C(=O)N=NC6=O.[Cl-]
Structure:
CAS RN: 37686-85-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H32N4O5
MOLECULAR WEIGHT: 456.53468
SMILES: CCN(CC)C(=O)NC1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 116680-01-4
CAS Name: (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid 2-(4-morpholinyl)ethyl ester hydrochloride
OPENEYE Name: 2-morpholinoethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoate hydrochloride
IUPAC Name: 2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate hydrochloride
SYSTEMATIC NAME: 2-morpholin-4-ylethyl (E)-6-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoate hydrochloride
MOLECULAR FORMULA: C23H32ClNO7
MOLECULAR WEIGHT: 469.95568
SMILES: CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)OC.Cl
Structure:
CAS RN: 19559-24-1
CAS Name: 4-[(1Z,3Z)-2,3-diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]phenol
OPENEYE Name: 4-[(1Z,3Z)-2,3-diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]phenol
IUPAC Name: 4-[(1Z,3Z)-2,3-diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]phenol
SYSTEMATIC NAME: 4-[(1Z,3Z)-2,3-diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]phenol
MOLECULAR FORMULA: C19H14N2O2
MOLECULAR WEIGHT: 302.32666
SMILES: COC1=CC=C(C=C1)/C=C(/C(=C/C2=CC=C(C=C2)O)/[N+]#[C-])\[N+]#[C-]
Structure:
CAS RN: 68609-92-7
CAS Name: (Z)-9-octadecenoic acid; propane-1,2-diol
OPENEYE Name: (Z)-octadec-9-enoic acid; propane-1,2-diol
IUPAC Name: (Z)-octadec-9-enoic acid; propane-1,2-diol
SYSTEMATIC NAME: (Z)-octadec-9-enoic acid; propane-1,2-diol
MOLECULAR FORMULA: C21H42O4
MOLECULAR WEIGHT: 358.55578
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)O.CC(CO)O
Structure:
CAS RN: 68478-80-8
CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; (E)-8-hexadecenoic acid; sulfuric acid diethyl ester
OPENEYE Name: N'-(2-aminoethyl)ethane-1,2-diamine; diethyl sulfate; (E)-hexadec-8-enoic acid
IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; diethyl sulfate; (E)-hexadec-8-enoic acid
SYSTEMATIC NAME: N'-(2-azanylethyl)ethane-1,2-diamine; diethyl sulfate; (E)-hexadec-8-enoic acid
MOLECULAR FORMULA: C24H53N3O6S
MOLECULAR WEIGHT: 511.75912
SMILES: CCCCCCC/C=C/CCCCCCC(=O)O.CCOS(=O)(=O)OCC.C(CNCCN)N
Structure:
CAS RN: 68511-92-2
CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; (E)-8-hexadecenoic acid; sulfuric acid diethyl ester
OPENEYE Name: N'-(2-aminoethyl)ethane-1,2-diamine; diethyl sulfate; (E)-hexadec-8-enoic acid
IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; diethyl sulfate; (E)-hexadec-8-enoic acid
SYSTEMATIC NAME: N'-(2-azanylethyl)ethane-1,2-diamine; diethyl sulfate; (E)-hexadec-8-enoic acid
MOLECULAR FORMULA: C24H53N3O6S
MOLECULAR WEIGHT: 511.75912
SMILES: CCCCCCC/C=C/CCCCCCC(=O)O.CCOS(=O)(=O)OCC.C(CNCCN)N
Structure:
CAS RN: 66513-28-8
CAS Name: (2R)-2-[(5S,6R)-6-[(3E,5E)-6-[(1S,3aR,4S,5R,7aS)-1-ethyl-4-[oxo(1H-pyrrol-2-yl)methyl]-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyl-2-oxanyl]propanoic acid
OPENEYE Name: (2R)-2-[(5S,6R)-6-[(1E,3E)-4-[(1S,3aR,4S,5R,7aS)-1-ethyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]-1-ethyl-buta-1,3-dienyl]-5-methyl-tetrahydropyran-2-yl]propanoic acid
IUPAC Name: (2R)-2-[(5S,6R)-6-[(3E,5E)-6-[(1S,3aR,4S,5R,7aS)-1-ethyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyloxan-2-yl]propanoic acid
SYSTEMATIC NAME: (2R)-2-[(5S,6R)-6-[(3E,5E)-6-[(1S,3aR,4S,5R,7aS)-1-ethyl-4-(1H-pyrrol-2-ylcarbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyl-oxan-2-yl]propanoic acid
MOLECULAR FORMULA: C31H43NO4
MOLECULAR WEIGHT: 493.67742
SMILES: CC[C@H]1CC[C@@H]2[C@@H]1C=C[C@@H]([C@H]2C(=O)C3=CC=CN3)/C=C/C=C(\CC)/[C@H]4[C@H](CCC(O4)[C@@H](C)C(=O)O)C
Structure:
CAS RN: 64439-43-6
CAS Name: (E)-4-hydroxy-2-(hydroxymethyl)-2-butenoic acid [(3aR,4R,6Z,9R,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester
OPENEYE Name: [(3aR,4R,6Z,9R,10Z,11aR)-9-acetoxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
IUPAC Name: [(3aR,4R,6Z,9R,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
SYSTEMATIC NAME: [(3aR,4R,6Z,9R,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxidanylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-(hydroxymethyl)-4-oxidanyl-but-2-enoate
MOLECULAR FORMULA: C22H28O8
MOLECULAR WEIGHT: 420.45292
SMILES: C/C/1=C/C[C@H](/C(=C\[C@@H]2[C@@H]([C@@H](C1)OC(=O)/C(=C/CO)/CO)C(=C)C(=O)O2)/C)OC(=O)C
Structure:
CAS RN: 61886-46-2
CAS Name: 2-(diethylamino)ethanol; sulfuric acid [(E)-octadec-9-enyl] ester
OPENEYE Name: 2-(diethylamino)ethanol; [(E)-octadec-9-enyl] hydrogen sulfate
IUPAC Name: 2-(diethylamino)ethanol; [(E)-octadec-9-enyl] hydrogen sulfate
SYSTEMATIC NAME: 2-(diethylamino)ethanol; [(E)-octadec-9-enyl] hydrogen sulfate
MOLECULAR FORMULA: C24H51NO5S
MOLECULAR WEIGHT: 465.73044
SMILES: CCCCCCCC/C=C/CCCCCCCCOS(=O)(=O)O.CCN(CC)CCO
Structure:
CAS RN: 61218-31-3
CAS Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,4S)-3-hydroxy-8-methoxy-4-methyloct-1-enyl]-5-oxocyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,4S)-3-hydroxy-8-methoxy-4-methyl-oct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,4S)-3-hydroxy-8-methoxy-4-methyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R)-2-[(E,3S,4S)-8-methoxy-4-methyl-3-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C22H36O6
MOLECULAR WEIGHT: 396.51764
SMILES: C[C@@H](CCCCOC)[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)O
Structure:
CAS RN: 61116-33-4
CAS Name: (2E,4E,6E)-7-cyclohexyl-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopentenyl)amino]-7-oxohepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hepta-2,4,6-trienamide
OPENEYE Name: (2E,4E,6E)-7-cyclohexyl-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxo-cyclopenten-1-yl)amino]-7-oxo-hepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hepta-2,4,6-trienamide
IUPAC Name: (2E,4E,6E)-7-cyclohexyl-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hepta-2,4,6-trienamide
SYSTEMATIC NAME: (2E,4E,6E)-7-cyclohexyl-N-[(1S,5S,6R)-5-oxidanyl-2-oxidanylidene-5-[(1E,3E,5E)-7-oxidanylidene-7-[(2-oxidanyl-5-oxidanylidene-cyclopenten-1-yl)amino]hepta-1,3,5-trienyl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hepta-2,4,6-trienamide
MOLECULAR FORMULA: C31H34N2O7
MOLECULAR WEIGHT: 546.61086
SMILES: C1CCC(CC1)/C=C/C=C/C=C/C(=O)NC2=C[C@]([C@H]3[C@@H](C2=O)O3)(/C=C/C=C/C=C/C(=O)NC4=C(CCC4=O)O)O
Structure:
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