CAS RN: 32065-38-6
CAS Name: (Z)-1-diazonio-4-[(4-methylphenyl)sulfonylamino]-1-buten-2-olate
OPENEYE Name: (Z)-1-diazonio-4-(p-tolylsulfonylamino)but-1-en-2-olate
IUPAC Name: (Z)-1-diazonio-4-[(4-methylphenyl)sulfonylamino]but-1-en-2-olate
SYSTEMATIC NAME: (Z)-1-diazonio-4-[(4-methylphenyl)sulfonylamino]but-1-en-2-olate
MOLECULAR FORMULA: C11H13N3O3S
MOLECULAR WEIGHT: 267.30422
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC/C(=C/[N+]#N)/[O-]
Structure:
CAS RN: 344903-89-5
CAS Name: [(E)-2-methoxyethenyl]benzene
OPENEYE Name: [(E)-2-methoxyvinyl]benzene
IUPAC Name: [(E)-2-methoxyethenyl]benzene
SYSTEMATIC NAME: [(E)-2-methoxyethenyl]benzene
MOLECULAR FORMULA: C9H10O
MOLECULAR WEIGHT: 134.1751
SMILES: CO/C=C/C1=CC=CC=C1
Structure:
CAS RN: 4747-15-3
CAS Name: [(E)-2-methoxyethenyl]benzene
OPENEYE Name: [(E)-2-methoxyvinyl]benzene
IUPAC Name: [(E)-2-methoxyethenyl]benzene
SYSTEMATIC NAME: [(E)-2-methoxyethenyl]benzene
MOLECULAR FORMULA: C9H10O
MOLECULAR WEIGHT: 134.1751
SMILES: CO/C=C/C1=CC=CC=C1
Structure:
CAS RN: 33046-41-2
CAS Name: (E)-6-phenyl-3-hexen-2-one
OPENEYE Name: (E)-6-phenylhex-3-en-2-one
IUPAC Name: (E)-6-phenylhex-3-en-2-one
SYSTEMATIC NAME: (E)-6-phenylhex-3-en-2-one
MOLECULAR FORMULA: C12H14O
MOLECULAR WEIGHT: 174.23896
SMILES: CC(=O)/C=C/CCC1=CC=CC=C1
Structure:
CAS RN: 127-40-2
CAS Name: 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-1-cyclohex-3-enol
OPENEYE Name: 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol
IUPAC Name: 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
SYSTEMATIC NAME: 3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
MOLECULAR FORMULA: C40H56O2
MOLECULAR WEIGHT: 568.87144
SMILES: CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2C(=CC(CC2(C)C)O)C)/C)/C
Structure:
CAS RN: 38327-39-8
CAS Name: 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-1-cyclohex-3-enol
OPENEYE Name: 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol
IUPAC Name: 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
SYSTEMATIC NAME: 3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
MOLECULAR FORMULA: C40H56O2
MOLECULAR WEIGHT: 568.87144
SMILES: CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2C(=CC(CC2(C)C)O)C)/C)/C
Structure:
CAS RN: 52097-85-5
CAS Name: (3E)-3-prop-2-enylidenecyclobutene
OPENEYE Name: (3E)-3-allylidenecyclobutene
IUPAC Name: (3E)-3-prop-2-enylidenecyclobutene
SYSTEMATIC NAME: (3E)-3-prop-2-enylidenecyclobutene
MOLECULAR FORMULA: C7H8
MOLECULAR WEIGHT: 92.13842
SMILES: C=C/C=C/1\CC=C1
Structure:
CAS RN: 58809-90-8
CAS Name: 4-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]benzenesulfonamide
OPENEYE Name: 4-methyl-N-[(Z)-(2-nitrophenyl)methyleneamino]benzenesulfonamide
IUPAC Name: 4-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]benzenesulfonamide
SYSTEMATIC NAME: 4-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]benzenesulfonamide
MOLECULAR FORMULA: C14H13N3O4S
MOLECULAR WEIGHT: 319.33572
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N/N=C\C2=CC=CC=C2[N+](=O)[O-]
Structure:
CAS RN: 3511-27-1
CAS Name: (5E)-hepta-1,5-dien-3-yne
OPENEYE Name: (5E)-hepta-1,5-dien-3-yne
IUPAC Name: (5E)-hepta-1,5-dien-3-yne
SYSTEMATIC NAME: (5E)-hepta-1,5-dien-3-yne
MOLECULAR FORMULA: C7H8
MOLECULAR WEIGHT: 92.13842
SMILES: C/C=C/C#CC=C
Structure:
CAS RN: 2486-13-7
CAS Name: 2,4-dinitro-1-[(E)-2-phenylethenyl]benzene
OPENEYE Name: 2,4-dinitro-1-[(E)-styryl]benzene
IUPAC Name: 2,4-dinitro-1-[(E)-2-phenylethenyl]benzene
SYSTEMATIC NAME: 2,4-dinitro-1-[(E)-2-phenylethenyl]benzene
MOLECULAR FORMULA: C14H10N2O4
MOLECULAR WEIGHT: 270.2402
SMILES: C1=CC=C(C=C1)/C=C/C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 43212-86-8
CAS Name: (2E,4E)-1-nona-2,4-dien-6-ynol
OPENEYE Name: (2E,4E)-nona-2,4-dien-6-yn-1-ol
IUPAC Name: (2E,4E)-nona-2,4-dien-6-yn-1-ol
SYSTEMATIC NAME: (2E,4E)-nona-2,4-dien-6-yn-1-ol
MOLECULAR FORMULA: C9H12O
MOLECULAR WEIGHT: 136.19098
SMILES: CCC#C/C=C/C=C/CO
Structure:
CAS RN: 20357-59-9
CAS Name: (6E)-6-[(N-hydroxyanilino)methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6E)-6-[(N-hydroxyanilino)methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6E)-6-[(N-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6E)-6-[[oxidanyl(phenyl)amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C13H11NO2
MOLECULAR WEIGHT: 213.23194
SMILES: C1=CC=C(C=C1)N(/C=C/2\C=CC=CC2=O)O
Structure:
CAS RN: 68133-78-8
CAS Name: 2-phenylacetic acid [(E)-hex-2-enyl] ester
OPENEYE Name: [(E)-hex-2-enyl] 2-phenylacetate
IUPAC Name: [(E)-hex-2-enyl] 2-phenylacetate
SYSTEMATIC NAME: [(E)-hex-2-enyl] 2-phenylethanoate
MOLECULAR FORMULA: C14H18O2
MOLECULAR WEIGHT: 218.29152
SMILES: CCC/C=C/COC(=O)CC1=CC=CC=C1
Structure:
CAS RN: 71605-86-2
CAS Name: 2-phenylacetic acid [(E)-hex-2-enyl] ester
OPENEYE Name: [(E)-hex-2-enyl] 2-phenylacetate
IUPAC Name: [(E)-hex-2-enyl] 2-phenylacetate
SYSTEMATIC NAME: [(E)-hex-2-enyl] 2-phenylethanoate
MOLECULAR FORMULA: C14H18O2
MOLECULAR WEIGHT: 218.29152
SMILES: CCC/C=C/COC(=O)CC1=CC=CC=C1
Structure:
CAS RN: 151539-32-1
CAS Name: 8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione
OPENEYE Name: 8-[(E)-2-(3-nitrophenyl)vinyl]-1,3-dipropyl-7H-purine-2,6-dione
IUPAC Name: 8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione
SYSTEMATIC NAME: 8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione
MOLECULAR FORMULA: C19H21N5O4
MOLECULAR WEIGHT: 383.40114
SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]
Structure:
CAS RN: 55130-16-0
CAS Name: (Z)-9-octadecenoic acid (phenylmethyl) ester
OPENEYE Name: benzyl (Z)-octadec-9-enoate
IUPAC Name: benzyl (Z)-octadec-9-enoate
SYSTEMATIC NAME: (phenylmethyl) (Z)-octadec-9-enoate
MOLECULAR FORMULA: C25H40O2
MOLECULAR WEIGHT: 372.5839
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC1=CC=CC=C1
Structure:
CAS RN: 17227-34-8
CAS Name: 4-methyl-N-[(E)-(phenylmethylene)amino]benzenesulfonamide
OPENEYE Name: N-[(E)-benzylideneamino]-4-methyl-benzenesulfonamide
IUPAC Name: N-[(E)-benzylideneamino]-4-methylbenzenesulfonamide
SYSTEMATIC NAME: 4-methyl-N-[(E)-(phenylmethylidene)amino]benzenesulfonamide
MOLECULAR FORMULA: C14H14N2O2S
MOLECULAR WEIGHT: 274.33816
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=CC=CC=C2
Structure:
CAS RN: 54410-84-3
CAS Name: (Z)-1-bromo-2-chloro-2-butene
OPENEYE Name: (Z)-1-bromo-2-chloro-but-2-ene
IUPAC Name: (Z)-1-bromo-2-chlorobut-2-ene
SYSTEMATIC NAME: (Z)-1-bromanyl-2-chloranyl-but-2-ene
MOLECULAR FORMULA: C4H6BrCl
MOLECULAR WEIGHT: 169.44744
SMILES: C/C=C(/CBr)\Cl
Structure:
CAS RN: 29480-42-0
CAS Name: (1E,5E)-1,6-dichlorocycloocta-1,5-diene
OPENEYE Name: (1E,5E)-1,6-dichlorocycloocta-1,5-diene
IUPAC Name: (1E,5E)-1,6-dichlorocycloocta-1,5-diene
SYSTEMATIC NAME: (1E,5E)-1,6-bis(chloranyl)cycloocta-1,5-diene
MOLECULAR FORMULA: C8H10Cl2
MOLECULAR WEIGHT: 177.071
SMILES: C1/C=C(\CC/C(=C\C1)/Cl)/Cl
Structure:
CAS RN: 13036-87-8
CAS Name: sodium N-ethylcarbamodithioate
OPENEYE Name: sodium N-ethylcarbamodithioate
IUPAC Name: sodium N-ethylcarbamodithioate
SYSTEMATIC NAME: sodium N-ethylcarbamodithioate
MOLECULAR FORMULA: C3H6NNaS2
MOLECULAR WEIGHT: 143.20621
SMILES: CCNC(=S)[S-].[Na+]
Structure:
CAS RN: 40334-69-8
CAS Name: chloro-bis[(E)-2-chloroethenyl]arsine
OPENEYE Name: chloro-bis[(E)-2-chlorovinyl]arsane
IUPAC Name: chloro-bis[(E)-2-chloroethenyl]arsane
SYSTEMATIC NAME: chloranyl-bis[(E)-2-chloranylethenyl]arsane
MOLECULAR FORMULA: C4H4AsCl3
MOLECULAR WEIGHT: 233.35516
SMILES: C(=C/[As](Cl)/C=C/Cl)\Cl
Structure:
CAS RN: 111-79-5
CAS Name: (E)-2-nonenoic acid methyl ester
OPENEYE Name: methyl (E)-non-2-enoate
IUPAC Name: methyl (E)-non-2-enoate
SYSTEMATIC NAME: methyl (E)-non-2-enoate
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: CCCCCC/C=C/C(=O)OC
Structure:
CAS RN: 2482-39-5
CAS Name: (E)-2-decenoic acid methyl ester
OPENEYE Name: methyl (E)-dec-2-enoate
IUPAC Name: methyl (E)-dec-2-enoate
SYSTEMATIC NAME: methyl (E)-dec-2-enoate
MOLECULAR FORMULA: C11H20O2
MOLECULAR WEIGHT: 184.2753
SMILES: CCCCCCC/C=C/C(=O)OC
Structure:
CAS RN: 7367-85-3
CAS Name: (E)-2-decenoic acid methyl ester
OPENEYE Name: methyl (E)-dec-2-enoate
IUPAC Name: methyl (E)-dec-2-enoate
SYSTEMATIC NAME: methyl (E)-dec-2-enoate
MOLECULAR FORMULA: C11H20O2
MOLECULAR WEIGHT: 184.2753
SMILES: CCCCCCC/C=C/C(=O)OC
Structure:
CAS RN: 51744-78-6
CAS Name: 2-[4-[2-(diethylamino)ethylamino]-6-methyl-2-pyrimidinyl]-1-(4-phenylmethoxyphenyl)guanidine
OPENEYE Name: 1-(4-benzyloxyphenyl)-2-[4-[2-(diethylamino)ethylamino]-6-methyl-pyrimidin-2-yl]guanidine
IUPAC Name: 2-[4-[2-(diethylamino)ethylamino]-6-methylpyrimidin-2-yl]-1-(4-phenylmethoxyphenyl)guanidine
SYSTEMATIC NAME: 2-[4-[2-(diethylamino)ethylamino]-6-methyl-pyrimidin-2-yl]-1-(4-phenylmethoxyphenyl)guanidine
MOLECULAR FORMULA: C25H33N7O
MOLECULAR WEIGHT: 447.57582
SMILES: CCN(CC)CCNC1=NC(=NC(=C1)C)/N=C(\N)/NC2=CC=C(C=C2)OCC3=CC=CC=C3
Structure:
CAS RN: 4361-80-2
CAS Name: (E)-3-phenyl-2-propenoic acid 3-(diethylamino)propyl ester
OPENEYE Name: 3-(diethylamino)propyl (E)-3-phenylprop-2-enoate
IUPAC Name: 3-(diethylamino)propyl (E)-3-phenylprop-2-enoate
SYSTEMATIC NAME: 3-(diethylamino)propyl (E)-3-phenylprop-2-enoate
MOLECULAR FORMULA: C16H23NO2
MOLECULAR WEIGHT: 261.35932
SMILES: CCN(CC)CCCOC(=O)/C=C/C1=CC=CC=C1
Structure:
CAS RN: 6168-76-9
CAS Name: 2-[ethyl-[(E)-1-oxobut-2-enyl]amino]-N,N-dimethylbutanamide
OPENEYE Name: 2-[[(E)-but-2-enoyl]-ethyl-amino]-N,N-dimethyl-butanamide
IUPAC Name: 2-[[(E)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide
SYSTEMATIC NAME: 2-[[(E)-but-2-enoyl]-ethyl-amino]-N,N-dimethyl-butanamide
MOLECULAR FORMULA: C12H22N2O2
MOLECULAR WEIGHT: 226.31528
SMILES: CCC(C(=O)N(C)C)N(CC)C(=O)/C=C/C
Structure:
CAS RN: 34681-10-2
CAS Name: N-methylcarbamic acid [(Z)-3-(methylthio)butan-2-ylideneamino] ester
OPENEYE Name: [(Z)-(1-methyl-2-methylsulfanyl-propylidene)amino] N-methylcarbamate
IUPAC Name: [(Z)-3-methylsulfanylbutan-2-ylideneamino] N-methylcarbamate
SYSTEMATIC NAME: [(Z)-3-methylsulfanylbutan-2-ylideneamino] N-methylcarbamate
MOLECULAR FORMULA: C7H14N2O2S
MOLECULAR WEIGHT: 190.26326
SMILES: CC(/C(=N\OC(=O)NC)/C)SC
Structure:
CAS RN: 67660-53-1
CAS Name: N-[(Z)-heptylideneamino]-N-methylmethanamine
OPENEYE Name: N-[(Z)-heptylideneamino]-N-methyl-methanamine
IUPAC Name: N-[(Z)-heptylideneamino]-N-methylmethanamine
SYSTEMATIC NAME: N-[(Z)-heptylideneamino]-N-methyl-methanamine
MOLECULAR FORMULA: C9H20N2
MOLECULAR WEIGHT: 156.2685
SMILES: CCCCCC/C=N\N(C)C
Structure:
CAS RN: 13490-32-9
CAS Name: (4Z)-4-[amino(nitroso)methylidene]-1,2,5-oxadiazol-3-amine
OPENEYE Name: (4Z)-4-[amino(nitroso)methylene]-1,2,5-oxadiazol-3-amine
IUPAC Name: (4Z)-4-[amino(nitroso)methylidene]-1,2,5-oxadiazol-3-amine
SYSTEMATIC NAME: (4Z)-4-[azanyl(nitroso)methylidene]-1,2,5-oxadiazol-3-amine
MOLECULAR FORMULA: C3H5N5O2
MOLECULAR WEIGHT: 143.1041
SMILES: C/1(=C(\N)/N=O)\C(=NON1)N
Structure:
CAS RN: 6213-87-2
CAS Name: (E)-3-bromo-2-propenoic acid methyl ester
OPENEYE Name: methyl (E)-3-bromoprop-2-enoate
IUPAC Name: methyl (E)-3-bromoprop-2-enoate
SYSTEMATIC NAME: methyl (E)-3-bromanylprop-2-enoate
MOLECULAR FORMULA: C4H5BrO2
MOLECULAR WEIGHT: 164.9853
SMILES: COC(=O)/C=C/Br
Structure:
CAS RN: 10482-65-2
CAS Name: pentanoic acid [(E)-3-phenylprop-2-enyl] ester
OPENEYE Name: [(E)-cinnamyl] pentanoate
IUPAC Name: [(E)-3-phenylprop-2-enyl] pentanoate
SYSTEMATIC NAME: [(E)-3-phenylprop-2-enyl] pentanoate
MOLECULAR FORMULA: C14H18O2
MOLECULAR WEIGHT: 218.29152
SMILES: CCCCC(=O)OC/C=C/C1=CC=CC=C1
Structure:
CAS RN: 21962-24-3
CAS Name: (E)-1,1-dimethoxy-2-butene
OPENEYE Name: (E)-1,1-dimethoxybut-2-ene
IUPAC Name: (E)-1,1-dimethoxybut-2-ene
SYSTEMATIC NAME: (E)-1,1-dimethoxybut-2-ene
MOLECULAR FORMULA: C6H12O2
MOLECULAR WEIGHT: 116.15828
SMILES: C/C=C/C(OC)OC
Structure:
CAS RN: 31915-76-1
CAS Name: (E)-1-methoxy-3-methyl-1-butene
OPENEYE Name: (E)-1-methoxy-3-methyl-but-1-ene
IUPAC Name: (E)-1-methoxy-3-methylbut-1-ene
SYSTEMATIC NAME: (E)-1-methoxy-3-methyl-but-1-ene
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 100.15888
SMILES: CC(C)/C=C/OC
Structure:
CAS RN: 27125-91-3
CAS Name: (E)-4-methoxy-2-pentene
OPENEYE Name: (E)-4-methoxypent-2-ene
IUPAC Name: (E)-4-methoxypent-2-ene
SYSTEMATIC NAME: (E)-4-methoxypent-2-ene
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 100.15888
SMILES: C/C=C/C(C)OC
Structure:
CAS RN: 114504-02-8
CAS Name: 2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol
OPENEYE Name: 2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol
IUPAC Name: 2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol
SYSTEMATIC NAME: 2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol
MOLECULAR FORMULA: C22H42N2O
MOLECULAR WEIGHT: 350.58168
SMILES: CCCCCCCC/C=C/CCCCCCCC1=NCCN1CCO
Structure:
CAS RN: 125943-48-8
CAS Name: 2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol
OPENEYE Name: 2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol
IUPAC Name: 2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol
SYSTEMATIC NAME: 2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol
MOLECULAR FORMULA: C22H42N2O
MOLECULAR WEIGHT: 350.58168
SMILES: CCCCCCCC/C=C/CCCCCCCC1=NCCN1CCO
Structure:
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