CAS RN: 41233-72-1
CAS Name: (3E)-2-methylhexa-1,3,5-triene
OPENEYE Name: (3E)-2-methylhexa-1,3,5-triene
IUPAC Name: (3E)-2-methylhexa-1,3,5-triene
SYSTEMATIC NAME: (3E)-2-methylhexa-1,3,5-triene
MOLECULAR FORMULA: C7H10
MOLECULAR WEIGHT: 94.1543
SMILES: CC(=C)/C=C/C=C
Structure:
CAS RN: 33467-79-7
CAS Name: (2E,4E)-1-hepta-2,4-dienol
OPENEYE Name: (2E,4E)-hepta-2,4-dien-1-ol
IUPAC Name: (2E,4E)-hepta-2,4-dien-1-ol
SYSTEMATIC NAME: (2E,4E)-hepta-2,4-dien-1-ol
MOLECULAR FORMULA: C7H12O
MOLECULAR WEIGHT: 112.16958
SMILES: CC/C=C/C=C/CO
Structure:
CAS RN: 17679-93-5
CAS Name: (3E,5E)-hepta-1,3,5-triene
OPENEYE Name: (3E,5E)-hepta-1,3,5-triene
IUPAC Name: (3E,5E)-hepta-1,3,5-triene
SYSTEMATIC NAME: (3E,5E)-hepta-1,3,5-triene
MOLECULAR FORMULA: C7H10
MOLECULAR WEIGHT: 94.1543
SMILES: C/C=C/C=C/C=C
Structure:
CAS RN: 74744-31-3
CAS Name: (E)-undec-5-en-3-yne
OPENEYE Name: (E)-undec-5-en-3-yne
IUPAC Name: (E)-undec-5-en-3-yne
SYSTEMATIC NAME: (E)-undec-5-en-3-yne
MOLECULAR FORMULA: C11H18
MOLECULAR WEIGHT: 150.26062
SMILES: CCCCC/C=C/C#CCC
Structure:
CAS RN: 22038-69-3
CAS Name: (3E,6E)-octa-1,3,6-triene
OPENEYE Name: (3E,6E)-octa-1,3,6-triene
IUPAC Name: (3E,6E)-octa-1,3,6-triene
SYSTEMATIC NAME: (3E,6E)-octa-1,3,6-triene
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: C/C=C/C/C=C/C=C
Structure:
CAS RN: 1002-27-3
CAS Name: (3E)-hepta-1,3,6-triene
OPENEYE Name: (3E)-hepta-1,3,6-triene
IUPAC Name: (3E)-hepta-1,3,6-triene
SYSTEMATIC NAME: (3E)-hepta-1,3,6-triene
MOLECULAR FORMULA: C7H10
MOLECULAR WEIGHT: 94.1543
SMILES: C=CC/C=C/C=C
Structure:
CAS RN: 24587-26-6
CAS Name: (3E)-3-methylhexa-1,3,5-triene
OPENEYE Name: (3E)-3-methylhexa-1,3,5-triene
IUPAC Name: (3E)-3-methylhexa-1,3,5-triene
SYSTEMATIC NAME: (3E)-3-methylhexa-1,3,5-triene
MOLECULAR FORMULA: C7H10
MOLECULAR WEIGHT: 94.1543
SMILES: C/C(=C\C=C)/C=C
Structure:
CAS RN: 25167-63-9
CAS Name: (1Z,4Z,8Z)-cyclododeca-1,4,8-triene
OPENEYE Name: (1Z,4Z,8Z)-cyclododeca-1,4,8-triene
IUPAC Name: (1Z,4Z,8Z)-cyclododeca-1,4,8-triene
SYSTEMATIC NAME: (1Z,4Z,8Z)-cyclododeca-1,4,8-triene
MOLECULAR FORMULA: C12H18
MOLECULAR WEIGHT: 162.27132
SMILES: C1C/C=C\CC/C=C\C/C=C\C1
Structure:
CAS RN: 27070-59-3
CAS Name: (1Z,4Z,8Z)-cyclododeca-1,4,8-triene
OPENEYE Name: (1Z,4Z,8Z)-cyclododeca-1,4,8-triene
IUPAC Name: (1Z,4Z,8Z)-cyclododeca-1,4,8-triene
SYSTEMATIC NAME: (1Z,4Z,8Z)-cyclododeca-1,4,8-triene
MOLECULAR FORMULA: C12H18
MOLECULAR WEIGHT: 162.27132
SMILES: C1C/C=C\CC/C=C\C/C=C\C1
Structure:
CAS RN: 22117-09-5
CAS Name: (5E,8E,11E)-1-heptadeca-5,8,11-trienol
OPENEYE Name: (5E,8E,11E)-heptadeca-5,8,11-trien-1-ol
IUPAC Name: (5E,8E,11E)-heptadeca-5,8,11-trien-1-ol
SYSTEMATIC NAME: (5E,8E,11E)-heptadeca-5,8,11-trien-1-ol
MOLECULAR FORMULA: C17H30O
MOLECULAR WEIGHT: 250.4195
SMILES: CCCCC/C=C/C/C=C/C/C=C/CCCCO
Structure:
CAS RN: 1808-26-0
CAS Name: (5Z,8Z,11Z,14Z)-eicosa-5,8,11,14-tetraenoic acid ethyl ester
OPENEYE Name: ethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
IUPAC Name: ethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
SYSTEMATIC NAME: ethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
MOLECULAR FORMULA: C22H36O2
MOLECULAR WEIGHT: 332.52004
SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC
Structure:
CAS RN: 1073-07-0
CAS Name: (1Z,4Z)-cycloocta-1,4-diene
OPENEYE Name: (1Z,4Z)-cycloocta-1,4-diene
IUPAC Name: (1Z,4Z)-cycloocta-1,4-diene
SYSTEMATIC NAME: (1Z,4Z)-cycloocta-1,4-diene
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: C1C/C=C\C/C=C\C1
Structure:
CAS RN: 16327-22-3
CAS Name: (1Z,4Z)-cycloocta-1,4-diene
OPENEYE Name: (1Z,4Z)-cycloocta-1,4-diene
IUPAC Name: (1Z,4Z)-cycloocta-1,4-diene
SYSTEMATIC NAME: (1Z,4Z)-cycloocta-1,4-diene
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: C1C/C=C\C/C=C\C1
Structure:
CAS RN: 1823-47-8
CAS Name: (6E)-6-[(2-pyridinylamino)methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6E)-6-[(2-pyridylamino)methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6E)-6-[(pyridin-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6E)-6-[(pyridin-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C12H10N2O
MOLECULAR WEIGHT: 198.2206
SMILES: C1=CC=NC(=C1)N/C=C/2\C=CC=CC2=O
Structure:
CAS RN: 2807-10-5
CAS Name: (E)-dec-3-en-1-yne
OPENEYE Name: (E)-dec-3-en-1-yne
IUPAC Name: (E)-dec-3-en-1-yne
SYSTEMATIC NAME: (E)-dec-3-en-1-yne
MOLECULAR FORMULA: C10H16
MOLECULAR WEIGHT: 136.23404
SMILES: CCCCCC/C=C/C#C
Structure:
CAS RN: 61827-88-1
CAS Name: (Z)-dec-3-en-1-yne
OPENEYE Name: (Z)-dec-3-en-1-yne
IUPAC Name: (Z)-dec-3-en-1-yne
SYSTEMATIC NAME: (Z)-dec-3-en-1-yne
MOLECULAR FORMULA: C10H16
MOLECULAR WEIGHT: 136.23404
SMILES: CCCCCC/C=C\C#C
Structure:
CAS RN: 18465-99-1
CAS Name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid 2,3-dihydroxypropyl ester
OPENEYE Name: 2,3-dihydroxypropyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
IUPAC Name: 2,3-dihydroxypropyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
SYSTEMATIC NAME: 2,3-bis(oxidanyl)propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
MOLECULAR FORMULA: C21H36O4
MOLECULAR WEIGHT: 352.50814
SMILES: CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(CO)O
Structure:
CAS RN: 55682-88-7
CAS Name: (11E,14E,17E)-eicosa-11,14,17-trienoic acid methyl ester
OPENEYE Name: methyl (11E,14E,17E)-icosa-11,14,17-trienoate
IUPAC Name: methyl (11E,14E,17E)-icosa-11,14,17-trienoate
SYSTEMATIC NAME: methyl (11E,14E,17E)-icosa-11,14,17-trienoate
MOLECULAR FORMULA: C21H36O2
MOLECULAR WEIGHT: 320.50934
SMILES: CC/C=C/C/C=C/C/C=C/CCCCCCCCCC(=O)OC
Structure:
CAS RN: 52557-28-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H40O6
MOLECULAR WEIGHT: 496.635
SMILES: CCC/C=C/C=C/C=C/C(=O)OC1C(=CC23C1(C(C(=CC(C2=O)C4C(C4(C)C)CC3C)CO)O)O)C
Structure:
CAS RN: 55976-10-8
CAS Name: (E)-4-ethynyl-5-decene
OPENEYE Name: (E)-4-ethynyldec-5-ene
IUPAC Name: (E)-4-ethynyldec-5-ene
SYSTEMATIC NAME: (E)-4-ethynyldec-5-ene
MOLECULAR FORMULA: C12H20
MOLECULAR WEIGHT: 164.2872
SMILES: CCCC/C=C/C(CCC)C#C
Structure:
CAS RN: 32787-84-1
CAS Name: (6Z)-6-[(1,2,4-triazol-4-ylamino)methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[(1,2,4-triazol-4-ylamino)methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[(1,2,4-triazol-4-ylamino)methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[(1,2,4-triazol-4-ylamino)methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C9H8N4O
MOLECULAR WEIGHT: 188.18602
SMILES: C1=C/C(=C/NN2C=NN=C2)/C(=O)C=C1
Structure:
CAS RN: 3725-30-2
CAS Name: (1Z,3Z,6Z)-cycloocta-1,3,6-triene
OPENEYE Name: (1Z,3Z,6Z)-cycloocta-1,3,6-triene
IUPAC Name: (1Z,3Z,6Z)-cycloocta-1,3,6-triene
SYSTEMATIC NAME: (1Z,3Z,6Z)-cycloocta-1,3,6-triene
MOLECULAR FORMULA: C8H10
MOLECULAR WEIGHT: 106.165
SMILES: C/1/C=C\C=C/C/C=C1
Structure:
CAS RN: 1871-52-9
CAS Name: (1Z,3Z,5Z)-cycloocta-1,3,5-triene
OPENEYE Name: (1Z,3Z,5Z)-cycloocta-1,3,5-triene
IUPAC Name: (1Z,3Z,5Z)-cycloocta-1,3,5-triene
SYSTEMATIC NAME: (1Z,3Z,5Z)-cycloocta-1,3,5-triene
MOLECULAR FORMULA: C8H10
MOLECULAR WEIGHT: 106.165
SMILES: C1/C=C\C=C/C=C\C1
Structure:
CAS RN: 252020-18-1
CAS Name: 1-(3-pyridinyl)-N-[(Z)-3-pyridinylmethylideneamino]methanimine
OPENEYE Name: 1-(3-pyridyl)-N-[(Z)-3-pyridylmethyleneamino]methanimine
IUPAC Name: 1-pyridin-3-yl-N-[(Z)-pyridin-3-ylmethylideneamino]methanimine
SYSTEMATIC NAME: 1-pyridin-3-yl-N-[(Z)-pyridin-3-ylmethylideneamino]methanimine
MOLECULAR FORMULA: C12H10N4
MOLECULAR WEIGHT: 210.2346
SMILES: C1=CC(=CN=C1)/C=N\N=C/C2=CN=CC=C2
Structure:
CAS RN: 10420-90-3
CAS Name: (3E)-hexa-1,3-dien-5-yne
OPENEYE Name: (3E)-hexa-1,3-dien-5-yne
IUPAC Name: (3E)-hexa-1,3-dien-5-yne
SYSTEMATIC NAME: (3E)-hexa-1,3-dien-5-yne
MOLECULAR FORMULA: C6H6
MOLECULAR WEIGHT: 78.11184
SMILES: C=C/C=C/C#C
Structure:
CAS RN: 4702-78-7
CAS Name: 1,2-diphenylethane-1,2-dione hydrazone
OPENEYE Name: 1,2-diphenylethane-1,2-dione hydrazone
IUPAC Name: (Z)-[(2Z)-2-hydrazinylidene-1,2-diphenylethylidene]hydrazine
SYSTEMATIC NAME: (Z)-[(2Z)-2-diazanylidene-1,2-diphenyl-ethylidene]diazane
MOLECULAR FORMULA: C14H14N4
MOLECULAR WEIGHT: 238.28776
SMILES: C1=CC=C(C=C1)/C(=N/N)/C(=N\N)/C2=CC=CC=C2
Structure:
CAS RN: 15597-76-9
CAS Name: (6Z)-6-(anilinomethylidene)-4-chloro-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-(anilinomethylene)-4-chloro-cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-(anilinomethylidene)-4-chlorocyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-4-chloranyl-6-(phenylazanylmethylidene)cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C13H10ClNO
MOLECULAR WEIGHT: 231.6776
SMILES: C1=CC=C(C=C1)N/C=C\2/C=C(C=CC2=O)Cl
Structure:
CAS RN: 729-43-1
CAS Name: 1-phenyl-N-[(Z)-1-phenylethylideneamino]ethanimine
OPENEYE Name: 1-phenyl-N-[(Z)-1-phenylethylideneamino]ethanimine
IUPAC Name: 1-phenyl-N-[(Z)-1-phenylethylideneamino]ethanimine
SYSTEMATIC NAME: 1-phenyl-N-[(Z)-1-phenylethylideneamino]ethanimine
MOLECULAR FORMULA: C16H16N2
MOLECULAR WEIGHT: 236.31164
SMILES: C/C(=N/N=C(\C1=CC=CC=C1)/C)/C2=CC=CC=C2
Structure:
CAS RN: 5335-36-4
CAS Name: (2Z)-2-cyano-2-(phenylhydrazinylidene)acetic acid ethyl ester
OPENEYE Name: ethyl (2Z)-2-cyano-2-(phenylhydrazono)acetate
IUPAC Name: ethyl (2Z)-2-cyano-2-(phenylhydrazinylidene)acetate
SYSTEMATIC NAME: ethyl (2Z)-2-cyano-2-(phenylhydrazinylidene)ethanoate
MOLECULAR FORMULA: C11H11N3O2
MOLECULAR WEIGHT: 217.22394
SMILES: CCOC(=O)/C(=N\NC1=CC=CC=C1)/C#N
Structure:
CAS RN: 18137-96-7
CAS Name: (E)-3-(4-bromophenyl)-1-phenyl-2-propen-1-one
OPENEYE Name: (E)-3-(4-bromophenyl)-1-phenyl-prop-2-en-1-one
IUPAC Name: (E)-3-(4-bromophenyl)-1-phenylprop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(4-bromophenyl)-1-phenyl-prop-2-en-1-one
MOLECULAR FORMULA: C15H11BrO
MOLECULAR WEIGHT: 287.15124
SMILES: C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)Br
Structure:
CAS RN: 22966-09-2
CAS Name: (E)-3-(4-bromophenyl)-1-phenyl-2-propen-1-one
OPENEYE Name: (E)-3-(4-bromophenyl)-1-phenyl-prop-2-en-1-one
IUPAC Name: (E)-3-(4-bromophenyl)-1-phenylprop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(4-bromophenyl)-1-phenyl-prop-2-en-1-one
MOLECULAR FORMULA: C15H11BrO
MOLECULAR WEIGHT: 287.15124
SMILES: C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)Br
Structure:
CAS RN: 644-78-0
CAS Name: (E)-3-(2-hydroxyphenyl)-1-phenyl-2-propen-1-one
OPENEYE Name: (E)-3-(2-hydroxyphenyl)-1-phenyl-prop-2-en-1-one
IUPAC Name: (E)-3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(2-hydroxyphenyl)-1-phenyl-prop-2-en-1-one
MOLECULAR FORMULA: C15H12O2
MOLECULAR WEIGHT: 224.25458
SMILES: C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2O
Structure:
CAS RN: 42224-53-3
CAS Name: (E)-3-(2-hydroxyphenyl)-1-phenyl-2-propen-1-one
OPENEYE Name: (E)-3-(2-hydroxyphenyl)-1-phenyl-prop-2-en-1-one
IUPAC Name: (E)-3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(2-hydroxyphenyl)-1-phenyl-prop-2-en-1-one
MOLECULAR FORMULA: C15H12O2
MOLECULAR WEIGHT: 224.25458
SMILES: C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2O
Structure:
CAS RN: 1466-88-2
CAS Name: (E)-3-(2-nitrophenyl)-2-propenal
OPENEYE Name: (E)-3-(2-nitrophenyl)prop-2-enal
IUPAC Name: (E)-3-(2-nitrophenyl)prop-2-enal
SYSTEMATIC NAME: (E)-3-(2-nitrophenyl)prop-2-enal
MOLECULAR FORMULA: C9H7NO3
MOLECULAR WEIGHT: 177.15678
SMILES: C1=CC=C(C(=C1)/C=C/C=O)[N+](=O)[O-]
Structure:
CAS RN: 963-16-6
CAS Name: [(E)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene
OPENEYE Name: [(E)-2-(benzenesulfonyl)vinyl]sulfonylbenzene
IUPAC Name: [(E)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene
SYSTEMATIC NAME: [(E)-2-(phenylsulfonyl)ethenyl]sulfonylbenzene
MOLECULAR FORMULA: C14H12O4S2
MOLECULAR WEIGHT: 308.37268
SMILES: C1=CC=C(C=C1)S(=O)(=O)/C=C/S(=O)(=O)C2=CC=CC=C2
Structure:
CAS RN: 1823-44-5
CAS Name: (6Z)-4-methyl-6-(2-thiazolylhydrazinylidene)-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-4-methyl-6-(thiazol-2-ylhydrazono)cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-4-methyl-6-(1,3-thiazol-2-ylhydrazinylidene)cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-4-methyl-6-(1,3-thiazol-2-ylhydrazinylidene)cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C10H9N3OS
MOLECULAR WEIGHT: 219.26296
SMILES: CC1=C/C(=N/NC2=NC=CS2)/C(=O)C=C1
Structure:
CAS RN: 397-85-3
CAS Name: (Z)-3-difluoroboranyloxy-1,3-diphenyl-2-propen-1-one
OPENEYE Name: (Z)-3-difluoroboranyloxy-1,3-diphenyl-prop-2-en-1-one
IUPAC Name: (Z)-3-difluoroboranyloxy-1,3-diphenylprop-2-en-1-one
SYSTEMATIC NAME: (Z)-3-bis(fluoranyl)boranyloxy-1,3-diphenyl-prop-2-en-1-one
MOLECULAR FORMULA: C15H11BF2O2
MOLECULAR WEIGHT: 272.054446
SMILES: B(O/C(=C\C(=O)C1=CC=CC=C1)/C2=CC=CC=C2)(F)F
Structure:
CAS RN: 925-52-0
CAS Name: (3E)-5-methylhepta-1,3,6-triene
OPENEYE Name: (3E)-5-methylhepta-1,3,6-triene
IUPAC Name: (3E)-5-methylhepta-1,3,6-triene
SYSTEMATIC NAME: (3E)-5-methylhepta-1,3,6-triene
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: CC(C=C)/C=C/C=C
Structure:
CAS RN: 1608-51-1
CAS Name: (E)-3-(4-fluorophenyl)-1-phenyl-2-propen-1-one
OPENEYE Name: (E)-3-(4-fluorophenyl)-1-phenyl-prop-2-en-1-one
IUPAC Name: (E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(4-fluorophenyl)-1-phenyl-prop-2-en-1-one
MOLECULAR FORMULA: C15H11FO
MOLECULAR WEIGHT: 226.245643
SMILES: C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)F
Structure:
CAS RN: 35468-02-1
CAS Name: N-[(E)-1-(2-chlorophenyl)ethylideneamino]-2,4-dinitroaniline
OPENEYE Name: N-[(E)-1-(2-chlorophenyl)ethylideneamino]-2,4-dinitro-aniline
IUPAC Name: N-[(E)-1-(2-chlorophenyl)ethylideneamino]-2,4-dinitroaniline
SYSTEMATIC NAME: N-[(E)-1-(2-chlorophenyl)ethylideneamino]-2,4-dinitro-aniline
MOLECULAR FORMULA: C14H11ClN4O4
MOLECULAR WEIGHT: 334.71454
SMILES: C/C(=N\NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C2=CC=CC=C2Cl
Structure:
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