CAS RN: 3029-42-3
CAS Name: [(1E,3E,5E,7E,9E,11E)-12-phenyldodeca-1,3,5,7,9,11-hexaenyl]benzene
OPENEYE Name: [(1E,3E,5E,7E,9E,11E)-12-phenyldodeca-1,3,5,7,9,11-hexaenyl]benzene
IUPAC Name: [(1E,3E,5E,7E,9E,11E)-12-phenyldodeca-1,3,5,7,9,11-hexaenyl]benzene
SYSTEMATIC NAME: [(1E,3E,5E,7E,9E,11E)-12-phenyldodeca-1,3,5,7,9,11-hexaenyl]benzene
MOLECULAR FORMULA: C24H22
MOLECULAR WEIGHT: 310.43148
SMILES: C1=CC=C(C=C1)/C=C/C=C/C=C/C=C/C=C/C=C/C2=CC=CC=C2
Structure:
CAS RN: 3029-41-2
CAS Name: [(1E,3E,5E,7E,9E)-10-phenyldeca-1,3,5,7,9-pentaenyl]benzene
OPENEYE Name: [(1E,3E,5E,7E,9E)-10-phenyldeca-1,3,5,7,9-pentaenyl]benzene
IUPAC Name: [(1E,3E,5E,7E,9E)-10-phenyldeca-1,3,5,7,9-pentaenyl]benzene
SYSTEMATIC NAME: [(1E,3E,5E,7E,9E)-10-phenyldeca-1,3,5,7,9-pentaenyl]benzene
MOLECULAR FORMULA: C22H20
MOLECULAR WEIGHT: 284.3942
SMILES: C1=CC=C(C=C1)/C=C/C=C/C=C/C=C/C=C/C2=CC=CC=C2
Structure:
CAS RN: 29843-58-1
CAS Name: (E)-1,4-dichloro-2-methyl-2-butene
OPENEYE Name: (E)-1,4-dichloro-2-methyl-but-2-ene
IUPAC Name: (E)-1,4-dichloro-2-methylbut-2-ene
SYSTEMATIC NAME: (E)-1,4-bis(chloranyl)-2-methyl-but-2-ene
MOLECULAR FORMULA: C5H8Cl2
MOLECULAR WEIGHT: 139.02302
SMILES: C/C(=C\CCl)/CCl
Structure:
CAS RN: 29624-27-9
CAS Name: 1-[[(E)-2-(methylthio)-2-phenylethenyl]thio]-4-nitrobenzene
OPENEYE Name: 1-[(E)-2-methylsulfanyl-2-phenyl-vinyl]sulfanyl-4-nitro-benzene
IUPAC Name: 1-[(E)-2-methylsulfanyl-2-phenylethenyl]sulfanyl-4-nitrobenzene
SYSTEMATIC NAME: 1-[(E)-2-methylsulfanyl-2-phenyl-ethenyl]sulfanyl-4-nitro-benzene
MOLECULAR FORMULA: C15H13NO2S2
MOLECULAR WEIGHT: 303.39922
SMILES: CS/C(=C/SC1=CC=C(C=C1)[N+](=O)[O-])/C2=CC=CC=C2
Structure:
CAS RN: 28888-81-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H2Cl16N8
MOLECULAR WEIGHT: 1065.65988
SMILES: C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C3=NC4=NC(=NC5=NC(=NC6=C7C(=C(N6)N=C2N3)C(=C(C(=C7Cl)Cl)Cl)Cl)C8=C5C(=C(C(=C8Cl)Cl)Cl)Cl)C9=C4C(=C(C(=C9Cl)Cl)Cl)Cl
Structure:
CAS RN: 28746-04-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H2Br16N8
MOLECULAR WEIGHT: 1776.87588
SMILES: C12=C(C(=C(C(=C1Br)Br)Br)Br)C3=NC4=NC(=NC5=NC(=NC6=C7C(=C(N6)N=C2N3)C(=C(C(=C7Br)Br)Br)Br)C8=C5C(=C(C(=C8Br)Br)Br)Br)C9=C4C(=C(C(=C9Br)Br)Br)Br
Structure:
CAS RN: 28446-70-0
CAS Name: (E)-3-(4-methylphenyl)-2-propenenitrile
OPENEYE Name: (E)-3-(p-tolyl)prop-2-enenitrile
IUPAC Name: (E)-3-(4-methylphenyl)prop-2-enenitrile
SYSTEMATIC NAME: (E)-3-(4-methylphenyl)prop-2-enenitrile
MOLECULAR FORMULA: C10H9N
MOLECULAR WEIGHT: 143.18516
SMILES: CC1=CC=C(C=C1)/C=C/C#N
Structure:
CAS RN: 2844-24-8
CAS Name: 4-[(E)-2-(4-methoxyphenyl)ethenyl]-N,N-dimethylaniline
OPENEYE Name: 4-[(E)-2-(4-methoxyphenyl)vinyl]-N,N-dimethyl-aniline
IUPAC Name: 4-[(E)-2-(4-methoxyphenyl)ethenyl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[(E)-2-(4-methoxyphenyl)ethenyl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C17H19NO
MOLECULAR WEIGHT: 253.33886
SMILES: CN(C)C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)OC
Structure:
CAS RN: 2844-19-1
CAS Name: 4-[(E)-2-(4-bromophenyl)ethenyl]-N,N-dimethylaniline
OPENEYE Name: 4-[(E)-2-(4-bromophenyl)vinyl]-N,N-dimethyl-aniline
IUPAC Name: 4-[(E)-2-(4-bromophenyl)ethenyl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[(E)-2-(4-bromophenyl)ethenyl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C16H16BrN
MOLECULAR WEIGHT: 302.20894
SMILES: CN(C)C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)Br
Structure:
CAS RN: 28419-86-5
CAS Name: (E)-2-ethyl-4-methyl-2-pentenal
OPENEYE Name: (E)-2-ethyl-4-methyl-pent-2-enal
IUPAC Name: (E)-2-ethyl-4-methylpent-2-enal
SYSTEMATIC NAME: (E)-2-ethyl-4-methyl-pent-2-enal
MOLECULAR FORMULA: C8H14O
MOLECULAR WEIGHT: 126.19616
SMILES: CC/C(=C\C(C)C)/C=O
Structure:
CAS RN: 39237-73-5
CAS Name: (E)-2-ethyl-4-methyl-2-pentenal
OPENEYE Name: (E)-2-ethyl-4-methyl-pent-2-enal
IUPAC Name: (E)-2-ethyl-4-methylpent-2-enal
SYSTEMATIC NAME: (E)-2-ethyl-4-methyl-pent-2-enal
MOLECULAR FORMULA: C8H14O
MOLECULAR WEIGHT: 126.19616
SMILES: CC/C(=C\C(C)C)/C=O
Structure:
CAS RN: 28339-41-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H12
MOLECULAR WEIGHT: 132.20228
SMILES: C1CC2C3C4C1C5C2C5C43
Structure:
CAS RN: 28304-66-7
CAS Name: (5Z)-5-ethylidenebicyclo[2.2.1]hept-2-ene
OPENEYE Name: (5Z)-5-ethylidenebicyclo[2.2.1]hept-2-ene
IUPAC Name: (5Z)-5-ethylidenebicyclo[2.2.1]hept-2-ene
SYSTEMATIC NAME: (5Z)-5-ethylidenebicyclo[2.2.1]hept-2-ene
MOLECULAR FORMULA: C9H12
MOLECULAR WEIGHT: 120.19158
SMILES: C/C=C\1/CC2CC1C=C2
Structure:
CAS RN: 28304-67-8
CAS Name: (5Z)-5-ethylidenebicyclo[2.2.1]hept-2-ene
OPENEYE Name: (5Z)-5-ethylidenebicyclo[2.2.1]hept-2-ene
IUPAC Name: (5Z)-5-ethylidenebicyclo[2.2.1]hept-2-ene
SYSTEMATIC NAME: (5Z)-5-ethylidenebicyclo[2.2.1]hept-2-ene
MOLECULAR FORMULA: C9H12
MOLECULAR WEIGHT: 120.19158
SMILES: C/C=C\1/CC2CC1C=C2
Structure:
CAS RN: 28211-96-3
CAS Name: 7,12-diethyl-20-(2-methoxy-2-oxoethyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-carboxylic acid methyl ester
OPENEYE Name: methyl 7,12-diethyl-20-(2-methoxy-2-oxo-ethyl)-18-(3-methoxy-3-oxo-propyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-carboxylate
IUPAC Name: methyl 7,12-diethyl-20-(2-methoxy-2-oxoethyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-carboxylate
SYSTEMATIC NAME: methyl 7,12-diethyl-20-(2-methoxy-2-oxidanylidene-ethyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-carboxylate
MOLECULAR FORMULA: C37H42N4O6
MOLECULAR WEIGHT: 638.75258
SMILES: CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)OC)CC(=O)OC)CCC(=O)OC)C)C)CC)C
Structure:
CAS RN: 27951-99-1
CAS Name: 2-[(E)-2-(3-methylphenyl)ethenyl]pyridine
OPENEYE Name: 2-[(E)-2-(m-tolyl)vinyl]pyridine
IUPAC Name: 2-[(E)-2-(3-methylphenyl)ethenyl]pyridine
SYSTEMATIC NAME: 2-[(E)-2-(3-methylphenyl)ethenyl]pyridine
MOLECULAR FORMULA: C14H13N
MOLECULAR WEIGHT: 195.25972
SMILES: CC1=CC=CC(=C1)/C=C/C2=CC=CC=N2
Structure:
CAS RN: 27829-70-5
CAS Name: (E)-3-pentenoic acid ethyl ester
OPENEYE Name: ethyl (E)-pent-3-enoate
IUPAC Name: ethyl (E)-pent-3-enoate
SYSTEMATIC NAME: ethyl (E)-pent-3-enoate
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: CCOC(=O)C/C=C/C
Structure:
CAS RN: 3724-66-1
CAS Name: (E)-3-pentenoic acid ethyl ester
OPENEYE Name: ethyl (E)-pent-3-enoate
IUPAC Name: ethyl (E)-pent-3-enoate
SYSTEMATIC NAME: ethyl (E)-pent-3-enoate
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: CCOC(=O)C/C=C/C
Structure:
CAS RN: 27656-50-4
CAS Name: (Z)-2,2,4,6,6-pentamethyl-3-heptene
OPENEYE Name: (Z)-2,2,4,6,6-pentamethylhept-3-ene
IUPAC Name: (Z)-2,2,4,6,6-pentamethylhept-3-ene
SYSTEMATIC NAME: (Z)-2,2,4,6,6-pentamethylhept-3-ene
MOLECULAR FORMULA: C12H24
MOLECULAR WEIGHT: 168.31896
SMILES: C/C(=C/C(C)(C)C)/CC(C)(C)C
Structure:
CAS RN: 2752-99-0
CAS Name: (Z)-13-docosenoic acid 2,3-bis[(Z)-1-oxodocos-13-enoxy]propyl ester
OPENEYE Name: 2,3-bis[[(Z)-docos-13-enoyl]oxy]propyl (Z)-docos-13-enoate
IUPAC Name: 2,3-bis[[(Z)-docos-13-enoyl]oxy]propyl (Z)-docos-13-enoate
SYSTEMATIC NAME: 2,3-bis[[(Z)-docos-13-enoyl]oxy]propyl (Z)-docos-13-enoate
MOLECULAR FORMULA: C69H128O6
MOLECULAR WEIGHT: 1053.75102
SMILES: CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
Structure:
CAS RN: 18264-75-0
CAS Name: 2-amino-1-nitroguanidine
OPENEYE Name: 2-amino-1-nitro-guanidine
IUPAC Name: 2-amino-1-nitroguanidine
SYSTEMATIC NAME: 2-azanyl-1-nitro-guanidine
MOLECULAR FORMULA: CH5N5O2
MOLECULAR WEIGHT: 119.0827
SMILES: C(=N/N)(\N)/N[N+](=O)[O-]
Structure:
CAS RN: 2696-30-2
CAS Name: (E)-N,N-dimethyl-1-pent-3-en-1-ynamine
OPENEYE Name: (E)-N,N-dimethylpent-3-en-1-yn-1-amine
IUPAC Name: (E)-N,N-dimethylpent-3-en-1-yn-1-amine
SYSTEMATIC NAME: (E)-N,N-dimethylpent-3-en-1-yn-1-amine
MOLECULAR FORMULA: C7H11N
MOLECULAR WEIGHT: 109.16894
SMILES: C/C=C/C#CN(C)C
Structure:
CAS RN: 26934-61-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H10
MOLECULAR WEIGHT: 130.1864
SMILES: C1=CC2C3C4C1C5C2C5C43
Structure:
CAS RN: 26424-51-1
CAS Name: N-[4-[(2E)-2-(8-oxo-5-quinolinylidene)hydrazinyl]phenyl]acetamide
OPENEYE Name: N-[4-[(2E)-2-(8-oxo-5-quinolylidene)hydrazino]phenyl]acetamide
IUPAC Name: N-[4-[(2E)-2-(8-oxoquinolin-5-ylidene)hydrazinyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[(2E)-2-(8-oxidanylidenequinolin-5-ylidene)hydrazinyl]phenyl]ethanamide
MOLECULAR FORMULA: C17H14N4O2
MOLECULAR WEIGHT: 306.31866
SMILES: CC(=O)NC1=CC=C(C=C1)N/N=C/2\C=CC(=O)C3=C2C=CC=N3
Structure:
CAS RN: 63716-56-3
CAS Name: N-[4-[(2E)-2-(8-oxo-5-quinolinylidene)hydrazinyl]phenyl]acetamide
OPENEYE Name: N-[4-[(2E)-2-(8-oxo-5-quinolylidene)hydrazino]phenyl]acetamide
IUPAC Name: N-[4-[(2E)-2-(8-oxoquinolin-5-ylidene)hydrazinyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[(2E)-2-(8-oxidanylidenequinolin-5-ylidene)hydrazinyl]phenyl]ethanamide
MOLECULAR FORMULA: C17H14N4O2
MOLECULAR WEIGHT: 306.31866
SMILES: CC(=O)NC1=CC=C(C=C1)N/N=C/2\C=CC(=O)C3=C2C=CC=N3
Structure:
CAS RN: 2545-26-8
CAS Name: 6-iodo-7H-purine
OPENEYE Name: 6-iodo-7H-purine
IUPAC Name: 6-iodo-7H-purine
SYSTEMATIC NAME: 6-iodanyl-7H-purine
MOLECULAR FORMULA: C5H3IN4
MOLECULAR WEIGHT: 246.00859
SMILES: C1=NC2=C(N1)C(=NC=N2)I
Structure:
CAS RN: 25415-77-4
CAS Name: (E)-2-butenoic acid 3-methylbutyl ester
OPENEYE Name: isopentyl (E)-but-2-enoate
IUPAC Name: 3-methylbutyl (E)-but-2-enoate
SYSTEMATIC NAME: 3-methylbutyl (E)-but-2-enoate
MOLECULAR FORMULA: C9H16O2
MOLECULAR WEIGHT: 156.22214
SMILES: C/C=C/C(=O)OCCC(C)C
Structure:
CAS RN: 73545-17-2
CAS Name: (E)-2-butenoic acid 3-methylbutyl ester
OPENEYE Name: isopentyl (E)-but-2-enoate
IUPAC Name: 3-methylbutyl (E)-but-2-enoate
SYSTEMATIC NAME: 3-methylbutyl (E)-but-2-enoate
MOLECULAR FORMULA: C9H16O2
MOLECULAR WEIGHT: 156.22214
SMILES: C/C=C/C(=O)OCCC(C)C
Structure:
CAS RN: 25125-84-2
CAS Name: (E)-2-methoxy-2-butene
OPENEYE Name: (E)-2-methoxybut-2-ene
IUPAC Name: (E)-2-methoxybut-2-ene
SYSTEMATIC NAME: (E)-2-methoxybut-2-ene
MOLECULAR FORMULA: C5H10O
MOLECULAR WEIGHT: 86.1323
SMILES: C/C=C(\C)/OC
Structure:
CAS RN: 6380-95-6
CAS Name: (Z)-2-methoxy-2-butene
OPENEYE Name: (Z)-2-methoxybut-2-ene
IUPAC Name: (Z)-2-methoxybut-2-ene
SYSTEMATIC NAME: (Z)-2-methoxybut-2-ene
MOLECULAR FORMULA: C5H10O
MOLECULAR WEIGHT: 86.1323
SMILES: C/C=C(/C)\OC
Structure:
CAS RN: 2510-76-1
CAS Name: 1-methyl-4-[(Z)-2-(4-methylphenyl)ethenyl]benzene
OPENEYE Name: 1-methyl-4-[(Z)-2-(p-tolyl)vinyl]benzene
IUPAC Name: 1-methyl-4-[(Z)-2-(4-methylphenyl)ethenyl]benzene
SYSTEMATIC NAME: 1-methyl-4-[(Z)-2-(4-methylphenyl)ethenyl]benzene
MOLECULAR FORMULA: C16H16
MOLECULAR WEIGHT: 208.29824
SMILES: CC1=CC=C(C=C1)/C=C\C2=CC=C(C=C2)C
Structure:
CAS RN: 24931-66-6
CAS Name: 1-[(E)-but-2-enyl]sulfonyl-4-methylbenzene
OPENEYE Name: 1-[(E)-but-2-enyl]sulfonyl-4-methyl-benzene
IUPAC Name: 1-[(E)-but-2-enyl]sulfonyl-4-methylbenzene
SYSTEMATIC NAME: 1-[(E)-but-2-enyl]sulfonyl-4-methyl-benzene
MOLECULAR FORMULA: C11H14O2S
MOLECULAR WEIGHT: 210.29266
SMILES: C/C=C/CS(=O)(=O)C1=CC=C(C=C1)C
Structure:
CAS RN: 2484-65-3
CAS Name: cyclotridecene
OPENEYE Name: cyclotridecene
IUPAC Name: cyclotridecene
SYSTEMATIC NAME: cyclotridecene
MOLECULAR FORMULA: C13H24
MOLECULAR WEIGHT: 180.32966
SMILES: C1CCCCC/C=C/CCCCC1
Structure:
CAS RN: 24587-25-5
CAS Name: (3E,5Z)-hepta-1,3,5-triene
OPENEYE Name: (3E,5Z)-hepta-1,3,5-triene
IUPAC Name: (3E,5Z)-hepta-1,3,5-triene
SYSTEMATIC NAME: (3E,5Z)-hepta-1,3,5-triene
MOLECULAR FORMULA: C7H10
MOLECULAR WEIGHT: 94.1543
SMILES: C/C=C\C=C\C=C
Structure:
CAS RN: 24461-38-9
CAS Name: 1-[(Z)-prop-1-enyl]aziridine
OPENEYE Name: 1-[(Z)-prop-1-enyl]aziridine
IUPAC Name: 1-[(Z)-prop-1-enyl]aziridine
SYSTEMATIC NAME: 1-[(Z)-prop-1-enyl]aziridine
MOLECULAR FORMULA: C5H9N
MOLECULAR WEIGHT: 83.13166
SMILES: C/C=C\N1CC1
Structure:
CAS RN: 24268-10-8
CAS Name: (E)-1-ethenoxy-1-propene
OPENEYE Name: (E)-1-vinyloxyprop-1-ene
IUPAC Name: (E)-1-ethenoxyprop-1-ene
SYSTEMATIC NAME: (E)-1-ethenoxyprop-1-ene
MOLECULAR FORMULA: C5H8O
MOLECULAR WEIGHT: 84.11642
SMILES: C/C=C/OC=C
Structure:
CAS RN: 928-56-3
CAS Name: (Z)-1-chloro-2-ethoxyethene
OPENEYE Name: (Z)-1-chloro-2-ethoxy-ethylene
IUPAC Name: (Z)-1-chloro-2-ethoxyethene
SYSTEMATIC NAME: (Z)-1-chloranyl-2-ethoxy-ethene
MOLECULAR FORMULA: C4H7ClO
MOLECULAR WEIGHT: 106.55078
SMILES: CCO/C=C\Cl
Structure:
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