CAS RN: 108957-73-9
CAS Name: 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol
OPENEYE Name: 5-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2-methoxy-phenol
IUPAC Name: 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol
SYSTEMATIC NAME: 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxy-phenol
MOLECULAR FORMULA: C17H18O4
MOLECULAR WEIGHT: 286.32242
SMILES: COC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=C2)OC)OC)O
Structure:
CAS RN: 89354-00-7
CAS Name: (E)-1-(5-hydroxy-2,2,8,8-tetramethyl-6-pyrano[2,3-f][1]benzopyranyl)-3-phenyl-2-propen-1-one
OPENEYE Name: (E)-1-(5-hydroxy-2,2,8,8-tetramethyl-pyrano[2,3-f]chromen-6-yl)-3-phenyl-prop-2-en-1-one
IUPAC Name: (E)-1-(5-hydroxy-2,2,8,8-tetramethylpyrano[2,3-f]chromen-6-yl)-3-phenylprop-2-en-1-one
SYSTEMATIC NAME: (E)-3-phenyl-1-(2,2,8,8-tetramethyl-5-oxidanyl-pyrano[2,3-f]chromen-6-yl)prop-2-en-1-one
MOLECULAR FORMULA: C25H24O4
MOLECULAR WEIGHT: 388.45566
SMILES: CC1(C=CC2=C(C(=C3C(=C2O1)C=CC(O3)(C)C)C(=O)/C=C/C4=CC=CC=C4)O)C
Structure:
CAS RN: 76045-67-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H45NO10
MOLECULAR WEIGHT: 687.7753
SMILES: CC1/C=C\C=C\C=C/C(=O)NC2=C(C3=CC(=C(C(=C3C(=O)C2=O)C(=O)/C(=C/C(C(C(/C=C/C(C/C=C(\C(=O)CC1O)/C)O)C)O)C)/C)O)C)O
Structure:
CAS RN: 5939-37-7
CAS Name: 2-[[[4-[(2,4-diamino-7-oxo-8H-pteridin-6-yl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 2-[[4-[(2,4-diamino-7-oxo-8H-pteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid
IUPAC Name: 2-[[4-[(2,4-diamino-7-oxo-8H-pteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[[2,4-bis(azanyl)-7-oxidanylidene-8H-pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C20H22N8O6
MOLECULAR WEIGHT: 470.43868
SMILES: CN(CC1=NC2=C(NC1=O)N=C(N=C2N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
Structure:
CAS RN: 3681-99-0
CAS Name: 7-hydroxy-3-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one
OPENEYE Name: 7-hydroxy-3-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
SYSTEMATIC NAME: 8-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-3-(4-hydroxyphenyl)-7-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C21H20O9
MOLECULAR WEIGHT: 416.3781
SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O
Structure:
CAS RN: 84886-37-3
CAS Name: 2-methyl-2-butenoic acid [(6Z,10E)-4,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] ester
OPENEYE Name: [(6Z,10E)-4,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-methylbut-2-enoate
IUPAC Name: [(6Z,10E)-4,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-methylbut-2-enoate
SYSTEMATIC NAME: [(6Z,10E)-6,10-dimethyl-3-methylidene-4,9-bis(oxidanyl)-2-oxidanylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-methylbut-2-enoate
MOLECULAR FORMULA: C20H26O6
MOLECULAR WEIGHT: 362.41684
SMILES: CC=C(C)C(=O)OC/1C(C2C(/C=C(/C(C/C=C1/C)O)\C)OC(=O)C2=C)O
Structure:
CAS RN: 90361-64-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H21NO4S
MOLECULAR WEIGHT: 311.39654
SMILES: CCOC1=C(N2/C(=C/C(=O)OC)/[C@@H]3C[C@H](C[C@]2(O3)S1)C)C
Structure:
CAS RN: 7316-92-9
CAS Name: 2-[(4-oxo-1-cyclohexa-2,5-dienylidene)amino]guanidine
OPENEYE Name: 2-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]guanidine
IUPAC Name: 2-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]guanidine
SYSTEMATIC NAME: 2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)amino]guanidine
MOLECULAR FORMULA: C7H8N4O
MOLECULAR WEIGHT: 164.16462
SMILES: C1=CC(=O)C=CC1=NN=C(N)N
Structure:
CAS RN: 50670-02-5
CAS Name: (Z)-3-(4-hydroxyphenyl)-2-pentenedioic acid
OPENEYE Name: (Z)-3-(4-hydroxyphenyl)pent-2-enedioic acid
IUPAC Name: (Z)-3-(4-hydroxyphenyl)pent-2-enedioic acid
SYSTEMATIC NAME: (Z)-3-(4-hydroxyphenyl)pent-2-enedioic acid
MOLECULAR FORMULA: C11H10O5
MOLECULAR WEIGHT: 222.1941
SMILES: C1=CC(=CC=C1/C(=C\C(=O)O)/CC(=O)O)O
Structure:
CAS RN: 82601-41-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H26O7
MOLECULAR WEIGHT: 390.42694
SMILES: C/C(=C\C=C\C1([C@H]2CCC3([C@]2(CCC(=CC3)C(=O)OC)O)C(=O)O1)C)/C(=O)O
Structure:
CAS RN: 85957-41-1
CAS Name: 1-[4-(dimethylamino)phenyl]-2-(3H-quinazolin-4-ylidene)ethanone
OPENEYE Name: 1-[4-(dimethylamino)phenyl]-2-(3H-quinazolin-4-ylidene)ethanone
IUPAC Name: 1-[4-(dimethylamino)phenyl]-2-(3H-quinazolin-4-ylidene)ethanone
SYSTEMATIC NAME: 1-[4-(dimethylamino)phenyl]-2-(3H-quinazolin-4-ylidene)ethanone
MOLECULAR FORMULA: C18H17N3O
MOLECULAR WEIGHT: 291.34708
SMILES: CN(C)C1=CC=C(C=C1)C(=O)C=C2C3=CC=CC=C3N=CN2
Structure:
CAS RN: 85957-39-7
CAS Name: 1-(3-chlorophenyl)-2-(3H-quinazolin-4-ylidene)ethanone
OPENEYE Name: 1-(3-chlorophenyl)-2-(3H-quinazolin-4-ylidene)ethanone
IUPAC Name: 1-(3-chlorophenyl)-2-(3H-quinazolin-4-ylidene)ethanone
SYSTEMATIC NAME: 1-(3-chlorophenyl)-2-(3H-quinazolin-4-ylidene)ethanone
MOLECULAR FORMULA: C16H11ClN2O
MOLECULAR WEIGHT: 282.72434
SMILES: C1=CC=C2C(=C1)C(=CC(=O)C3=CC(=CC=C3)Cl)NC=N2
Structure:
CAS RN: 57616-57-6
CAS Name: (E)-2-butenedioic acid; 4-[2-[[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]thio]ethyl]morpholine
OPENEYE Name: 4-[2-[[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]sulfanyl]ethyl]morpholine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 4-[2-[[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]sulfanyl]ethyl]morpholine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 4-[2-[[7-chloranyl-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]sulfanyl]ethyl]morpholine
MOLECULAR FORMULA: C25H25Cl2N3O5S
MOLECULAR WEIGHT: 550.4541
SMILES: C1COCCN1CCSC2=NC3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 97095-40-4
CAS Name: [(E)-[1-(3-hydroxypropyl)-2-oxo-3-indolylidene]amino]thiourea
OPENEYE Name: [(E)-[1-(3-hydroxypropyl)-2-oxo-indolin-3-ylidene]amino]thiourea
IUPAC Name: [(E)-[1-(3-hydroxypropyl)-2-oxoindol-3-ylidene]amino]thiourea
SYSTEMATIC NAME: 1-[(E)-[2-oxidanylidene-1-(3-oxidanylpropyl)indol-3-ylidene]amino]thiourea
MOLECULAR FORMULA: C12H14N4O2S
MOLECULAR WEIGHT: 278.33016
SMILES: C1=CC=C2C(=C1)/C(=N\NC(=S)N)/C(=O)N2CCCO
Structure:
CAS RN: 31701-42-5
CAS Name: 2-(1,3-dihydrobenzotriazol-2-yl)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-(1,3-dihydrobenzotriazol-2-yl)-1,4-benzoquinone
IUPAC Name: 2-(1,3-dihydrobenzotriazol-2-yl)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-(1,3-dihydrobenzotriazol-2-yl)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C12H9N3O2
MOLECULAR WEIGHT: 227.21876
SMILES: C1=CC=C2C(=C1)NN(N2)C3=CC(=O)C=CC3=O
Structure:
CAS RN: 476364-74-6
CAS Name: 2-(1,3-dihydrobenzotriazol-2-yl)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-(1,3-dihydrobenzotriazol-2-yl)-1,4-benzoquinone
IUPAC Name: 2-(1,3-dihydrobenzotriazol-2-yl)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-(1,3-dihydrobenzotriazol-2-yl)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C12H9N3O2
MOLECULAR WEIGHT: 227.21876
SMILES: C1=CC=C2C(=C1)NN(N2)C3=CC(=O)C=CC3=O
Structure:
CAS RN: 87538-71-4
CAS Name: (6Z)-6-[2-amino-5-(4-methoxyphenyl)-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[2-amino-5-(4-methoxyphenyl)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[2-amino-5-(4-methoxyphenyl)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[2-azanyl-5-(4-methoxyphenyl)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C17H15N3O2
MOLECULAR WEIGHT: 293.3199
SMILES: COC1=CC=C(C=C1)C\2=CN=C(N/C2=C\3/C=CC=CC3=O)N
Structure:
CAS RN: 75006-00-7
CAS Name: (11E,13E)-6-[(4,5-dihydroxy-4,6-dimethyl-2-oxanyl)oxy]-7-ethyl-4,10-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one
OPENEYE Name: (11E,13E)-6-(4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-7-ethyl-4,10-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one
IUPAC Name: (11E,13E)-6-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-7-ethyl-4,10-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one
SYSTEMATIC NAME: (11E,13E)-6-[4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-7-ethyl-5-methoxy-9,16-dimethyl-4,10-bis(oxidanyl)-1-oxacyclohexadeca-11,13-dien-2-one
MOLECULAR FORMULA: C27H46O9
MOLECULAR WEIGHT: 514.64874
SMILES: CCC1CC(C(/C=C/C=C/CC(OC(=O)CC(C(C1OC2CC(C(C(O2)C)O)(C)O)OC)O)C)O)C
Structure:
CAS RN: 75217-57-1
CAS Name: (11E,13E)-6-[(4-acetyl-3,4-dihydroxy-6-methyl-2-oxanyl)oxy]-7-ethyl-4,10-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one
OPENEYE Name: (11E,13E)-6-(4-acetyl-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-7-ethyl-4,10-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one
IUPAC Name: (11E,13E)-6-(4-acetyl-3,4-dihydroxy-6-methyloxan-2-yl)oxy-7-ethyl-4,10-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one
SYSTEMATIC NAME: (11E,13E)-6-[4-ethanoyl-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-7-ethyl-5-methoxy-9,16-dimethyl-4,10-bis(oxidanyl)-1-oxacyclohexadeca-11,13-dien-2-one
MOLECULAR FORMULA: C28H46O10
MOLECULAR WEIGHT: 542.65884
SMILES: CCC1CC(C(/C=C/C=C/CC(OC(=O)CC(C(C1OC2C(C(CC(O2)C)(C(=O)C)O)O)OC)O)C)O)C
Structure:
CAS RN: 71939-66-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24O6
MOLECULAR WEIGHT: 360.40096
SMILES: CCC(C)C(=O)O[C@@H]1C[C@@]2(C(=O)C=C(O2)/C(=C\[C@@H]3C1C(=C)C(=O)O3)/C)C
Structure:
CAS RN: 84323-36-4
CAS Name: 3,7-dihydroxy-5,6-dimethoxy-2-phenyl-1-benzopyran-4-one
OPENEYE Name: 3,7-dihydroxy-5,6-dimethoxy-2-phenyl-chromen-4-one
IUPAC Name: 3,7-dihydroxy-5,6-dimethoxy-2-phenylchromen-4-one
SYSTEMATIC NAME: 5,6-dimethoxy-3,7-bis(oxidanyl)-2-phenyl-chromen-4-one
MOLECULAR FORMULA: C17H14O6
MOLECULAR WEIGHT: 314.28946
SMILES: COC1=C(C=C2C(=C1OC)C(=O)C(=C(O2)C3=CC=CC=C3)O)O
Structure:
CAS RN: 92207-31-3
CAS Name: 4-ethoxy-2-methoxy-1-[(E)-2-[(Z)-2-phenylethenyl]sulfonylethenyl]benzene
OPENEYE Name: 4-ethoxy-2-methoxy-1-[(E)-2-[(Z)-styryl]sulfonylvinyl]benzene
IUPAC Name: 4-ethoxy-2-methoxy-1-[(E)-2-[(Z)-2-phenylethenyl]sulfonylethenyl]benzene
SYSTEMATIC NAME: 4-ethoxy-2-methoxy-1-[(E)-2-[(Z)-2-phenylethenyl]sulfonylethenyl]benzene
MOLECULAR FORMULA: C19H20O4S
MOLECULAR WEIGHT: 344.4247
SMILES: CCOC1=CC(=C(C=C1)/C=C/S(=O)(=O)/C=C\C2=CC=CC=C2)OC
Structure:
CAS RN: 92207-27-7
CAS Name: 1-nitro-4-[(E)-2-[(Z)-2-phenylethenyl]sulfonylethenyl]benzene
OPENEYE Name: 1-nitro-4-[(E)-2-[(Z)-styryl]sulfonylvinyl]benzene
IUPAC Name: 1-nitro-4-[(E)-2-[(Z)-2-phenylethenyl]sulfonylethenyl]benzene
SYSTEMATIC NAME: 1-nitro-4-[(E)-2-[(Z)-2-phenylethenyl]sulfonylethenyl]benzene
MOLECULAR FORMULA: C16H13NO4S
MOLECULAR WEIGHT: 315.34372
SMILES: C1=CC=C(C=C1)/C=C\S(=O)(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
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