CAS RN: 23045-49-0
CAS Name: 4-[(E)-2-(9-acridinyl)ethenyl]aniline
OPENEYE Name: 4-[(E)-2-acridin-9-ylvinyl]aniline
IUPAC Name: 4-[(E)-2-acridin-9-ylethenyl]aniline
SYSTEMATIC NAME: 4-[(E)-2-acridin-9-ylethenyl]aniline
MOLECULAR FORMULA: C21H16N2
MOLECULAR WEIGHT: 296.36514
SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)/C=C/C4=CC=C(C=C4)N
Structure:
CAS RN: 115816-05-2
CAS Name: 2,6-ditert-butyl-4-[(E)-2-(3-pyridinyl)ethenyl]phenol
OPENEYE Name: 2,6-ditert-butyl-4-[(E)-2-(3-pyridyl)vinyl]phenol
IUPAC Name: 2,6-ditert-butyl-4-[(E)-2-pyridin-3-ylethenyl]phenol
SYSTEMATIC NAME: 2,6-ditert-butyl-4-[(E)-2-pyridin-3-ylethenyl]phenol
MOLECULAR FORMULA: C21H27NO
MOLECULAR WEIGHT: 309.44518
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/C2=CN=CC=C2
Structure:
CAS RN: 116376-62-6
CAS Name: 2,6-ditert-butyl-4-[(E)-2-(3-pyridinyl)ethenyl]phenol
OPENEYE Name: 2,6-ditert-butyl-4-[(E)-2-(3-pyridyl)vinyl]phenol
IUPAC Name: 2,6-ditert-butyl-4-[(E)-2-pyridin-3-ylethenyl]phenol
SYSTEMATIC NAME: 2,6-ditert-butyl-4-[(E)-2-pyridin-3-ylethenyl]phenol
MOLECULAR FORMULA: C21H27NO
MOLECULAR WEIGHT: 309.44518
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/C2=CN=CC=C2
Structure:
CAS RN: 115464-68-1
CAS Name: (Z)-2-butenedioic acid; 9-methoxy-5,11-dimethyl-N-(3-methylbutyl)-6H-pyrido[4,3-b]carbazol-1-amine
OPENEYE Name: N-isopentyl-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 9-methoxy-5,11-dimethyl-N-(3-methylbutyl)-6H-pyrido[4,3-b]carbazol-1-amine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 9-methoxy-5,11-dimethyl-N-(3-methylbutyl)-6H-pyrido[4,3-b]carbazol-1-amine
MOLECULAR FORMULA: C27H31N3O5
MOLECULAR WEIGHT: 477.55214
SMILES: CC1=C2C(=C(C3=C1C=CN=C3NCCC(C)C)C)C4=C(N2)C=CC(=C4)OC.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 115464-65-8
CAS Name: (Z)-2-butenedioic acid; 9-methoxy-5,11-dimethyl-N-propyl-6H-pyrido[4,3-b]carbazol-1-amine
OPENEYE Name: maleic acid; 9-methoxy-5,11-dimethyl-N-propyl-6H-pyrido[4,3-b]carbazol-1-amine
IUPAC Name: (Z)-but-2-enedioic acid; 9-methoxy-5,11-dimethyl-N-propyl-6H-pyrido[4,3-b]carbazol-1-amine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 9-methoxy-5,11-dimethyl-N-propyl-6H-pyrido[4,3-b]carbazol-1-amine
MOLECULAR FORMULA: C25H27N3O5
MOLECULAR WEIGHT: 449.49898
SMILES: CCCNC1=NC=CC2=C1C(=C3C4=C(C=CC(=C4)OC)NC3=C2C)C.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 115464-63-6
CAS Name: (Z)-2-butenedioic acid; N-ethyl-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine
OPENEYE Name: N-ethyl-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; N-ethyl-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; N-ethyl-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine
MOLECULAR FORMULA: C24H25N3O5
MOLECULAR WEIGHT: 435.4724
SMILES: CCNC1=NC=CC2=C1C(=C3C4=C(C=CC(=C4)OC)NC3=C2C)C.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 115464-61-4
CAS Name: (Z)-2-butenedioic acid; 9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine
OPENEYE Name: maleic acid; 9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine
IUPAC Name: (Z)-but-2-enedioic acid; 9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine
MOLECULAR FORMULA: C22H21N3O5
MOLECULAR WEIGHT: 407.41924
SMILES: CC1=C2C(=C(C3=C1C=CN=C3N)C)C4=C(N2)C=CC(=C4)OC.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 115453-71-9
CAS Name: (2R)-2-amino-3-[[(E)-2-chloroethenyl]thio]propanoic acid
OPENEYE Name: (2R)-2-amino-3-[(E)-2-chlorovinyl]sulfanyl-propanoic acid
IUPAC Name: (2R)-2-amino-3-[(E)-2-chloroethenyl]sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-[(E)-2-chloranylethenyl]sulfanyl-propanoic acid
MOLECULAR FORMULA: C5H8ClNO2S
MOLECULAR WEIGHT: 181.64052
SMILES: C([C@@H](C(=O)O)N)S/C=C/Cl
Structure:
CAS RN: 20460-57-5
CAS Name: (E)-4-methyl-3-heptene-2,6-dione
OPENEYE Name: (E)-4-methylhept-3-ene-2,6-dione
IUPAC Name: (E)-4-methylhept-3-ene-2,6-dione
SYSTEMATIC NAME: (E)-4-methylhept-3-ene-2,6-dione
MOLECULAR FORMULA: C8H12O2
MOLECULAR WEIGHT: 140.17968
SMILES: C/C(=C\C(=O)C)/CC(=O)C
Structure:
CAS RN: 19356-22-0
CAS Name: (9Z,12Z,15Z)-octadeca-9,12,15-trieneperoxoic acid
OPENEYE Name: (9Z,12Z,15Z)-octadeca-9,12,15-trieneperoxoic acid
IUPAC Name: (9Z,12Z,15Z)-octadeca-9,12,15-trieneperoxoic acid
SYSTEMATIC NAME: (9Z,12Z,15Z)-octadeca-9,12,15-trieneperoxoic acid
MOLECULAR FORMULA: C18H30O3
MOLECULAR WEIGHT: 294.429
SMILES: CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OO
Structure:
CAS RN: 18761-04-1
CAS Name: 2,5-dihydroxy-3-[(E)-16-(2-hydroxy-5-methoxy-3,6-dioxo-1-cyclohexa-1,4-dienyl)hexadec-8-enyl]-6-methylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-dihydroxy-3-[(E)-16-(2-hydroxy-5-methoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl)hexadec-8-enyl]-6-methyl-1,4-benzoquinone
IUPAC Name: 2,5-dihydroxy-3-[(E)-16-(2-hydroxy-5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)hexadec-8-enyl]-6-methylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-[(E)-16-[5-methoxy-2-oxidanyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]hexadec-8-enyl]-5-methyl-3,6-bis(oxidanyl)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C30H40O8
MOLECULAR WEIGHT: 528.6338
SMILES: CC1=C(C(=O)C(=C(C1=O)O)CCCCCCC/C=C/CCCCCCCC2=C(C(=O)C=C(C2=O)OC)O)O
Structure:
CAS RN: 93522-10-2
CAS Name: (2E,4E,6E)-7-[3-hydroxy-5-[(4E,6E)-3-methoxy-4-methyl-8-[[1-oxo-2-[2,4,5-trihydroxy-5-methyl-6-[(1E,3E)-penta-1,3-dienyl]-2-oxanyl]butyl]amino]octa-4,6-dien-2-yl]-2-oxolanyl]hepta-2,4,6-trienoic acid
OPENEYE Name: (2E,4E,6E)-7-[3-hydroxy-5-[(3E,5E)-2-methoxy-1,3-dimethyl-7-[2-[2,4,5-trihydroxy-5-methyl-6-[(1E,3E)-penta-1,3-dienyl]tetrahydropyran-2-yl]butanoylamino]hepta-3,5-dienyl]tetrahydrofuran-2-yl]hepta-2,4,6-trienoic acid
IUPAC Name: (2E,4E,6E)-7-[3-hydroxy-5-[(4E,6E)-3-methoxy-4-methyl-8-[2-[2,4,5-trihydroxy-5-methyl-6-[(1E,3E)-penta-1,3-dienyl]oxan-2-yl]butanoylamino]octa-4,6-dien-2-yl]oxolan-2-yl]hepta-2,4,6-trienoic acid
SYSTEMATIC NAME: (2E,4E,6E)-7-[5-[(4E,6E)-3-methoxy-4-methyl-8-[2-[5-methyl-2,4,5-tris(oxidanyl)-6-[(1E,3E)-penta-1,3-dienyl]oxan-2-yl]butanoylamino]octa-4,6-dien-2-yl]-3-oxidanyl-oxolan-2-yl]hepta-2,4,6-trienoic acid
MOLECULAR FORMULA: C36H53NO10
MOLECULAR WEIGHT: 659.80672
SMILES: CCC(C(=O)NC/C=C/C=C(\C)/C(C(C)C1CC(C(O1)/C=C/C=C/C=C/C(=O)O)O)OC)C2(CC(C(C(O2)/C=C/C=C/C)(C)O)O)O
Structure:
CAS RN: 90457-82-2
CAS Name: [(2E)-2-[[4-[(Z)-[7,7-dimethyl-3-oxo-4-(sulfomethyl)-2-bicyclo[2.2.1]heptanylidene]methyl]phenyl]methylidene]-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid
OPENEYE Name: [(3E)-3-[[4-[(Z)-[7,7-dimethyl-3-oxo-4-(sulfomethyl)norbornan-2-ylidene]methyl]phenyl]methylene]-7,7-dimethyl-2-oxo-norbornan-1-yl]methanesulfonic acid
IUPAC Name: [(2E)-2-[[4-[(Z)-[7,7-dimethyl-3-oxo-4-(sulfomethyl)-2-bicyclo[2.2.1]heptanylidene]methyl]phenyl]methylidene]-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid
SYSTEMATIC NAME: [(2E)-2-[[4-[(Z)-[7,7-dimethyl-3-oxidanylidene-4-(sulfomethyl)-2-bicyclo[2.2.1]heptanylidene]methyl]phenyl]methylidene]-7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid
MOLECULAR FORMULA: C28H34O8S2
MOLECULAR WEIGHT: 562.69476
SMILES: CC1(C\2CCC1(C(=O)/C2=C/C3=CC=C(C=C3)/C=C\4/C5CCC(C4=O)(C5(C)C)CS(=O)(=O)O)CS(=O)(=O)O)C
Structure:
CAS RN: 92761-26-7
CAS Name: [(2E)-2-[[4-[(Z)-[7,7-dimethyl-3-oxo-4-(sulfomethyl)-2-bicyclo[2.2.1]heptanylidene]methyl]phenyl]methylidene]-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid
OPENEYE Name: [(3E)-3-[[4-[(Z)-[7,7-dimethyl-3-oxo-4-(sulfomethyl)norbornan-2-ylidene]methyl]phenyl]methylene]-7,7-dimethyl-2-oxo-norbornan-1-yl]methanesulfonic acid
IUPAC Name: [(2E)-2-[[4-[(Z)-[7,7-dimethyl-3-oxo-4-(sulfomethyl)-2-bicyclo[2.2.1]heptanylidene]methyl]phenyl]methylidene]-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid
SYSTEMATIC NAME: [(2E)-2-[[4-[(Z)-[7,7-dimethyl-3-oxidanylidene-4-(sulfomethyl)-2-bicyclo[2.2.1]heptanylidene]methyl]phenyl]methylidene]-7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid
MOLECULAR FORMULA: C28H34O8S2
MOLECULAR WEIGHT: 562.69476
SMILES: CC1(C\2CCC1(C(=O)/C2=C/C3=CC=C(C=C3)/C=C\4/C5CCC(C4=O)(C5(C)C)CS(=O)(=O)O)CS(=O)(=O)O)C
Structure:
CAS RN: 89666-59-1
CAS Name: [(2E)-2-[[4-[(Z)-[7,7-dimethyl-3-oxo-4-(sulfomethyl)-2-bicyclo[2.2.1]heptanylidene]methyl]phenyl]methylidene]-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid
OPENEYE Name: [(3E)-3-[[4-[(Z)-[7,7-dimethyl-3-oxo-4-(sulfomethyl)norbornan-2-ylidene]methyl]phenyl]methylene]-7,7-dimethyl-2-oxo-norbornan-1-yl]methanesulfonic acid
IUPAC Name: [(2E)-2-[[4-[(Z)-[7,7-dimethyl-3-oxo-4-(sulfomethyl)-2-bicyclo[2.2.1]heptanylidene]methyl]phenyl]methylidene]-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid
SYSTEMATIC NAME: [(2E)-2-[[4-[(Z)-[7,7-dimethyl-3-oxidanylidene-4-(sulfomethyl)-2-bicyclo[2.2.1]heptanylidene]methyl]phenyl]methylidene]-7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid
MOLECULAR FORMULA: C28H34O8S2
MOLECULAR WEIGHT: 562.69476
SMILES: CC1(C\2CCC1(C(=O)/C2=C/C3=CC=C(C=C3)/C=C\4/C5CCC(C4=O)(C5(C)C)CS(=O)(=O)O)CS(=O)(=O)O)C
Structure:
CAS RN: 92664-76-1
CAS Name: 7-[(E)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl]-9-methyl-6-purin-9-iumamine
OPENEYE Name: 7-[(E)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methyl-pent-2-enyl]-9-methyl-purin-9-ium-6-amine
IUPAC Name: 7-[(E)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl]-9-methylpurin-9-ium-6-amine
SYSTEMATIC NAME: 7-[(E)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methyl-pent-2-enyl]-9-methyl-purin-9-ium-6-amine
MOLECULAR FORMULA: C26H40N5+
MOLECULAR WEIGHT: 422.6293
SMILES: C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CC/C(=C/CN3C=[N+](C4=C3C(=NC=N4)N)C)/C)CCC=C2C)C
Structure:
CAS RN: 92484-22-5
CAS Name: (2Z,4E,6Z,8E)-9-(3-azido-2,6,6-trimethyl-1-cyclohexenyl)-3,7-dimethyl-1-nona-2,4,6,8-tetraenol
OPENEYE Name: (2Z,4E,6Z,8E)-9-(3-azido-2,6,6-trimethyl-cyclohexen-1-yl)-3,7-dimethyl-nona-2,4,6,8-tetraen-1-ol
IUPAC Name: (2Z,4E,6Z,8E)-9-(3-azido-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-ol
SYSTEMATIC NAME: (2Z,4E,6Z,8E)-9-(3-azido-2,6,6-trimethyl-cyclohexen-1-yl)-3,7-dimethyl-nona-2,4,6,8-tetraen-1-ol
MOLECULAR FORMULA: C20H29N3O
MOLECULAR WEIGHT: 327.46376
SMILES: CC1=C(C(CCC1N=[N+]=[N-])(C)C)/C=C/C(=C\C=C\C(=C/CO)\C)/C
Structure:
CAS RN: 92454-24-5
CAS Name: (2E,4E)-4-ethylhexa-2,4-dienamide
OPENEYE Name: (2E,4E)-4-ethylhexa-2,4-dienamide
IUPAC Name: (2E,4E)-4-ethylhexa-2,4-dienamide
SYSTEMATIC NAME: (2E,4E)-4-ethylhexa-2,4-dienamide
MOLECULAR FORMULA: C8H13NO
MOLECULAR WEIGHT: 139.19492
SMILES: CC/C(=C\C)/C=C/C(=O)N
Structure:
CAS RN: 91865-42-8
CAS Name: 3-[(E)-2-(5-hydroxy-3-methoxy-1-cyclohexa-2,4-dienyl)ethenyl]-2,6-dimethoxyphenol
OPENEYE Name: 3-[(E)-2-(5-hydroxy-3-methoxy-cyclohexa-2,4-dien-1-yl)vinyl]-2,6-dimethoxy-phenol
IUPAC Name: 3-[(E)-2-(5-hydroxy-3-methoxycyclohexa-2,4-dien-1-yl)ethenyl]-2,6-dimethoxyphenol
SYSTEMATIC NAME: 2,6-dimethoxy-3-[(E)-2-(3-methoxy-5-oxidanyl-cyclohexa-2,4-dien-1-yl)ethenyl]phenol
MOLECULAR FORMULA: C17H20O5
MOLECULAR WEIGHT: 304.3377
SMILES: COC1=C(C(=C(C=C1)/C=C/C2CC(=CC(=C2)OC)O)OC)O
Structure:
CAS RN: 91860-74-1
CAS Name: (E)-9-octadecenoic acid [3-mercapto-2-[(E)-1-oxooctadec-9-enoxy]propyl] ester
OPENEYE Name: [2-[(E)-octadec-9-enoyl]oxy-3-sulfanyl-propyl] (E)-octadec-9-enoate
IUPAC Name: [2-[(E)-octadec-9-enoyl]oxy-3-sulfanylpropyl] (E)-octadec-9-enoate
SYSTEMATIC NAME: [2-[(E)-octadec-9-enoyl]oxy-3-sulfanyl-propyl] (E)-octadec-9-enoate
MOLECULAR FORMULA: C39H72O4S
MOLECULAR WEIGHT: 637.05158
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CS)OC(=O)CCCCCCC/C=C/CCCCCCCC
Structure:
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