CAS RN: 19542-67-7
CAS Name: (E)-3-(4-methylphenyl)sulfonyl-2-propenenitrile
OPENEYE Name: (E)-3-(p-tolylsulfonyl)prop-2-enenitrile
IUPAC Name: (E)-3-(4-methylphenyl)sulfonylprop-2-enenitrile
SYSTEMATIC NAME: (E)-3-(4-methylphenyl)sulfonylprop-2-enenitrile
MOLECULAR FORMULA: C10H9NO2S
MOLECULAR WEIGHT: 207.24896
SMILES: CC1=CC=C(C=C1)S(=O)(=O)/C=C/C#N
Structure:
CAS RN: 116579-41-0
CAS Name: (E)-1-(2-amino-2-carboxyethoxy)-2-diazonioethenolate
OPENEYE Name: (E)-1-(2-amino-2-carboxy-ethoxy)-2-diazonio-ethenolate
IUPAC Name: (E)-1-(2-amino-2-carboxyethoxy)-2-diazonioethenolate
SYSTEMATIC NAME: (E)-1-(2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy)-2-diazonio-ethenolate
MOLECULAR FORMULA: C5H7N3O4
MOLECULAR WEIGHT: 173.12678
SMILES: C(C(C(=O)O)N)O/C(=C/[N+]#N)/[O-]
Structure:
CAS RN: 115-02-6
CAS Name: (E)-1-(2-amino-2-carboxyethoxy)-2-diazonioethenolate
OPENEYE Name: (E)-1-(2-amino-2-carboxy-ethoxy)-2-diazonio-ethenolate
IUPAC Name: (E)-1-(2-amino-2-carboxyethoxy)-2-diazonioethenolate
SYSTEMATIC NAME: (E)-1-(2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy)-2-diazonio-ethenolate
MOLECULAR FORMULA: C5H7N3O4
MOLECULAR WEIGHT: 173.12678
SMILES: C(C(C(=O)O)N)O/C(=C/[N+]#N)/[O-]
Structure:
CAS RN: 55350-03-3
CAS Name: acetic acid [7-ethyl-4-hydroxy-3-[(1E,3E,5E)-6-(4-methoxy-3-methyl-6-oxo-2-pyranyl)hexa-1,3,5-trienyl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] ester
OPENEYE Name: [7-ethyl-4-hydroxy-3-[(1E,3E,5E)-6-(4-methoxy-3-methyl-6-oxo-pyran-2-yl)hexa-1,3,5-trienyl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate
IUPAC Name: [7-ethyl-4-hydroxy-3-[(1E,3E,5E)-6-(4-methoxy-3-methyl-6-oxopyran-2-yl)hexa-1,3,5-trienyl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate
SYSTEMATIC NAME: [7-ethyl-3-[(1E,3E,5E)-6-(4-methoxy-3-methyl-6-oxidanylidene-pyran-2-yl)hexa-1,3,5-trienyl]-1,5-dimethyl-4-oxidanyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] ethanoate
MOLECULAR FORMULA: C25H32O8
MOLECULAR WEIGHT: 460.51678
SMILES: CCC1C2(C(C(O1)(C(C(O2)/C=C/C=C/C=C/C3=C(C(=CC(=O)O3)OC)C)O)C)OC(=O)C)C
Structure:
CAS RN: 110683-10-8
CAS Name: 2-[[(E)-1-oxo-3-(4-pentylphenyl)prop-2-enyl]amino]benzoic acid
OPENEYE Name: 2-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid
IUPAC Name: 2-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid
SYSTEMATIC NAME: 2-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid
MOLECULAR FORMULA: C21H23NO3
MOLECULAR WEIGHT: 337.41222
SMILES: CCCCCC1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O
Structure:
CAS RN: 4303-70-2
CAS Name: (E)-9-octadecenamide
OPENEYE Name: (E)-octadec-9-enamide
IUPAC Name: (E)-octadec-9-enamide
SYSTEMATIC NAME: (E)-octadec-9-enamide
MOLECULAR FORMULA: C18H35NO
MOLECULAR WEIGHT: 281.4766
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)N
Structure:
CAS RN: 138683-69-9
CAS Name: 1-ethenyl-9H-pyrido[3,4-b]indol-8-ol
OPENEYE Name: 1-vinyl-9H-pyrido[3,4-b]indol-8-ol
IUPAC Name: 1-ethenyl-9H-pyrido[3,4-b]indol-8-ol
SYSTEMATIC NAME: 1-ethenyl-9H-pyrido[3,4-b]indol-8-ol
MOLECULAR FORMULA: C13H10N2O
MOLECULAR WEIGHT: 210.2313
SMILES: C=CC1=NC=CC2=C1NC3=C2C=CC=C3O
Structure:
CAS RN: 148589-13-3
CAS Name: 8-[(E)-2-(3-chlorophenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione
OPENEYE Name: 8-[(E)-2-(3-chlorophenyl)vinyl]-1,3,7-trimethyl-purine-2,6-dione
IUPAC Name: 8-[(E)-2-(3-chlorophenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione
SYSTEMATIC NAME: 8-[(E)-2-(3-chlorophenyl)ethenyl]-1,3,7-trimethyl-purine-2,6-dione
MOLECULAR FORMULA: C16H15ClN4O2
MOLECULAR WEIGHT: 330.7689
SMILES: CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)/C=C/C3=CC(=CC=C3)Cl
Structure:
CAS RN: 81246-85-7
CAS Name: (E)-7-[3-[(2E,5E)-undeca-2,5-dienyl]-2-oxiranyl]-5-heptenoic acid
OPENEYE Name: (E)-7-[3-[(2E,5E)-undeca-2,5-dienyl]oxiran-2-yl]hept-5-enoic acid
IUPAC Name: (E)-7-[3-[(2E,5E)-undeca-2,5-dienyl]oxiran-2-yl]hept-5-enoic acid
SYSTEMATIC NAME: (E)-7-[3-[(2E,5E)-undeca-2,5-dienyl]oxiran-2-yl]hept-5-enoic acid
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: CCCCC/C=C/C/C=C/CC1C(O1)C/C=C/CCCC(=O)O
Structure:
CAS RN: 38183-04-9
CAS Name: 6,7-dihydroxy-2-phenyl-1-benzopyran-4-one
OPENEYE Name: 6,7-dihydroxy-2-phenyl-chromen-4-one
IUPAC Name: 6,7-dihydroxy-2-phenylchromen-4-one
SYSTEMATIC NAME: 6,7-bis(oxidanyl)-2-phenyl-chromen-4-one
MOLECULAR FORMULA: C15H10O4
MOLECULAR WEIGHT: 254.2375
SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=CC(=C(C=C3O2)O)O
Structure:
CAS RN: 81246-84-6
CAS Name: 4-[3-[(2E,5E,8E)-tetradeca-2,5,8-trienyl]-2-oxiranyl]butanoic acid
OPENEYE Name: 4-[3-[(2E,5E,8E)-tetradeca-2,5,8-trienyl]oxiran-2-yl]butanoic acid
IUPAC Name: 4-[3-[(2E,5E,8E)-tetradeca-2,5,8-trienyl]oxiran-2-yl]butanoic acid
SYSTEMATIC NAME: 4-[3-[(2E,5E,8E)-tetradeca-2,5,8-trienyl]oxiran-2-yl]butanoic acid
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: CCCCC/C=C/C/C=C/C/C=C/CC1C(O1)CCCC(=O)O
Structure:
CAS RN: 65474-79-5
CAS Name: 9H-pyrido[3,4-b]indol-3-ylmethanol
OPENEYE Name: 9H-pyrido[3,4-b]indol-3-ylmethanol
IUPAC Name: 9H-pyrido[3,4-b]indol-3-ylmethanol
SYSTEMATIC NAME: 9H-pyrido[3,4-b]indol-3-ylmethanol
MOLECULAR FORMULA: C12H10N2O
MOLECULAR WEIGHT: 198.2206
SMILES: C1=CC=C2C(=C1)C3=CC(=NC=C3N2)CO
Structure:
CAS RN: 65036-66-0
CAS Name: (9E)-heptadeca-1,9,16-trien-4,6-diyne-3,8-diol
OPENEYE Name: (9E)-heptadeca-1,9,16-trien-4,6-diyne-3,8-diol
IUPAC Name: (9E)-heptadeca-1,9,16-trien-4,6-diyne-3,8-diol
SYSTEMATIC NAME: (9E)-heptadeca-1,9,16-trien-4,6-diyne-3,8-diol
MOLECULAR FORMULA: C17H22O2
MOLECULAR WEIGHT: 258.35538
SMILES: C=CCCCCC/C=C/C(C#CC#CC(C=C)O)O
Structure:
CAS RN: 73945-47-8
CAS Name: (5E,8E,11E,13E)-15-hydroxyeicosa-5,8,11,13-tetraenoic acid
OPENEYE Name: (5E,8E,11E,13E)-15-hydroxyicosa-5,8,11,13-tetraenoic acid
IUPAC Name: (5E,8E,11E,13E)-15-hydroxyicosa-5,8,11,13-tetraenoic acid
SYSTEMATIC NAME: (5E,8E,11E,13E)-15-oxidanylicosa-5,8,11,13-tetraenoic acid
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: CCCCCC(/C=C/C=C/C/C=C/C/C=C/CCCC(=O)O)O
Structure:
CAS RN: 81276-03-1
CAS Name: (5E,8E,11E)-13-(3-pentyl-2-oxiranyl)trideca-5,8,11-trienoic acid
OPENEYE Name: (5E,8E,11E)-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoic acid
IUPAC Name: (5E,8E,11E)-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoic acid
SYSTEMATIC NAME: (5E,8E,11E)-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoic acid
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: CCCCCC1C(O1)C/C=C/C/C=C/C/C=C/CCCC(=O)O
Structure:
CAS RN: 5502-90-9
CAS Name: (9E,11E)-13-hydroperoxyoctadeca-9,11-dienoic acid
OPENEYE Name: (9E,11E)-13-hydroperoxyoctadeca-9,11-dienoic acid
IUPAC Name: (9E,11E)-13-hydroperoxyoctadeca-9,11-dienoic acid
SYSTEMATIC NAME: (9E,11E)-13-(dioxidanyl)octadeca-9,11-dienoic acid
MOLECULAR FORMULA: C18H32O4
MOLECULAR WEIGHT: 312.44428
SMILES: CCCCCC(/C=C/C=C/CCCCCCCC(=O)O)OO
Structure:
CAS RN: 7324-21-2
CAS Name: (9E,11E)-13-hydroperoxyoctadeca-9,11-dienoic acid
OPENEYE Name: (9E,11E)-13-hydroperoxyoctadeca-9,11-dienoic acid
IUPAC Name: (9E,11E)-13-hydroperoxyoctadeca-9,11-dienoic acid
SYSTEMATIC NAME: (9E,11E)-13-(dioxidanyl)octadeca-9,11-dienoic acid
MOLECULAR FORMULA: C18H32O4
MOLECULAR WEIGHT: 312.44428
SMILES: CCCCCC(/C=C/C=C/CCCCCCCC(=O)O)OO
Structure:
CAS RN: 81276-02-0
CAS Name: (5E,8E)-10-[3-[(E)-oct-2-enyl]-2-oxiranyl]deca-5,8-dienoic acid
OPENEYE Name: (5E,8E)-10-[3-[(E)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid
IUPAC Name: (5E,8E)-10-[3-[(E)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid
SYSTEMATIC NAME: (5E,8E)-10-[3-[(E)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: CCCCC/C=C/CC1C(O1)C/C=C/C/C=C/CCCC(=O)O
Structure:
CAS RN: 150258-63-2
CAS Name: 5-[(E)-2-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid
OPENEYE Name: 5-[(E)-2-(2,5-dihydroxyphenyl)vinyl]-2-hydroxy-benzoic acid
IUPAC Name: 5-[(E)-2-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid
SYSTEMATIC NAME: 5-[(E)-2-[2,5-bis(oxidanyl)phenyl]ethenyl]-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C15H12O5
MOLECULAR WEIGHT: 272.25278
SMILES: C1=CC(=C(C=C1/C=C/C2=C(C=CC(=C2)O)O)C(=O)O)O
Structure:
CAS RN: 765-19-5
CAS Name: (10E,12E)-1-hexadeca-10,12-dienol
OPENEYE Name: (10E,12E)-hexadeca-10,12-dien-1-ol
IUPAC Name: (10E,12E)-hexadeca-10,12-dien-1-ol
SYSTEMATIC NAME: (10E,12E)-hexadeca-10,12-dien-1-ol
MOLECULAR FORMULA: C16H30O
MOLECULAR WEIGHT: 238.4088
SMILES: CCC/C=C/C=C/CCCCCCCCCO
Structure:
CAS RN: 53398-81-5
CAS Name: propanoic acid [(E)-hex-3-enyl] ester
OPENEYE Name: [(E)-hex-3-enyl] propanoate
IUPAC Name: [(E)-hex-3-enyl] propanoate
SYSTEMATIC NAME: [(E)-hex-3-enyl] propanoate
MOLECULAR FORMULA: C9H16O2
MOLECULAR WEIGHT: 156.22214
SMILES: CC/C=C/CCOC(=O)CC
Structure:
CAS RN: 35852-46-1
CAS Name: pentanoic acid [(E)-hex-3-enyl] ester
OPENEYE Name: [(E)-hex-3-enyl] pentanoate
IUPAC Name: [(E)-hex-3-enyl] pentanoate
SYSTEMATIC NAME: [(E)-hex-3-enyl] pentanoate
MOLECULAR FORMULA: C11H20O2
MOLECULAR WEIGHT: 184.2753
SMILES: CCCCC(=O)OCC/C=C/CC
Structure:
CAS RN: 56922-81-7
CAS Name: pentanoic acid [(E)-hex-3-enyl] ester
OPENEYE Name: [(E)-hex-3-enyl] pentanoate
IUPAC Name: [(E)-hex-3-enyl] pentanoate
SYSTEMATIC NAME: [(E)-hex-3-enyl] pentanoate
MOLECULAR FORMULA: C11H20O2
MOLECULAR WEIGHT: 184.2753
SMILES: CCCCC(=O)OCC/C=C/CC
Structure:
CAS RN: 56922-82-8
CAS Name: hexanoic acid [(E)-hex-3-enyl] ester
OPENEYE Name: [(E)-hex-3-enyl] hexanoate
IUPAC Name: [(E)-hex-3-enyl] hexanoate
SYSTEMATIC NAME: [(E)-hex-3-enyl] hexanoate
MOLECULAR FORMULA: C12H22O2
MOLECULAR WEIGHT: 198.30188
SMILES: CCCCCC(=O)OCC/C=C/CC
Structure:
CAS RN: 84434-19-5
CAS Name: hexanoic acid [(E)-hex-3-enyl] ester
OPENEYE Name: [(E)-hex-3-enyl] hexanoate
IUPAC Name: [(E)-hex-3-enyl] hexanoate
SYSTEMATIC NAME: [(E)-hex-3-enyl] hexanoate
MOLECULAR FORMULA: C12H22O2
MOLECULAR WEIGHT: 198.30188
SMILES: CCCCCC(=O)OCC/C=C/CC
Structure:
CAS RN: 56922-74-8
CAS Name: pentanoic acid [(E)-hex-2-enyl] ester
OPENEYE Name: [(E)-hex-2-enyl] pentanoate
IUPAC Name: [(E)-hex-2-enyl] pentanoate
SYSTEMATIC NAME: [(E)-hex-2-enyl] pentanoate
MOLECULAR FORMULA: C11H20O2
MOLECULAR WEIGHT: 184.2753
SMILES: CCCCC(=O)OC/C=C/CCC
Structure:
CAS RN: 53398-86-0
CAS Name: hexanoic acid [(E)-hex-2-enyl] ester
OPENEYE Name: [(E)-hex-2-enyl] hexanoate
IUPAC Name: [(E)-hex-2-enyl] hexanoate
SYSTEMATIC NAME: [(E)-hex-2-enyl] hexanoate
MOLECULAR FORMULA: C12H22O2
MOLECULAR WEIGHT: 198.30188
SMILES: CCCCCC(=O)OC/C=C/CCC
Structure:
CAS RN: 53398-78-0
CAS Name: formic acid [(E)-hex-2-enyl] ester
OPENEYE Name: [(E)-hex-2-enyl] formate
IUPAC Name: [(E)-hex-2-enyl] formate
SYSTEMATIC NAME: [(E)-hex-2-enyl] methanoate
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: CCC/C=C/COC=O
Structure:
CAS RN: 26952-13-6
CAS Name: (E)-2-tetradecene
OPENEYE Name: (E)-tetradec-2-ene
IUPAC Name: (E)-tetradec-2-ene
SYSTEMATIC NAME: (E)-tetradec-2-ene
MOLECULAR FORMULA: C14H28
MOLECULAR WEIGHT: 196.37212
SMILES: CCCCCCCCCCC/C=C/C
Structure:
CAS RN: 7206-13-5
CAS Name: (E)-2-dodecene
OPENEYE Name: (E)-dodec-2-ene
IUPAC Name: (E)-dodec-2-ene
SYSTEMATIC NAME: (E)-dodec-2-ene
MOLECULAR FORMULA: C12H24
MOLECULAR WEIGHT: 168.31896
SMILES: CCCCCCCCC/C=C/C
Structure:
CAS RN: 7206-26-0
CAS Name: (E)-2-dodecene
OPENEYE Name: (E)-dodec-2-ene
IUPAC Name: (E)-dodec-2-ene
SYSTEMATIC NAME: (E)-dodec-2-ene
MOLECULAR FORMULA: C12H24
MOLECULAR WEIGHT: 168.31896
SMILES: CCCCCCCCC/C=C/C
Structure:
CAS RN: 26624-13-5
CAS Name: 2,6-dimethoxy-4-[(Z)-prop-1-enyl]phenol
OPENEYE Name: 2,6-dimethoxy-4-[(Z)-prop-1-enyl]phenol
IUPAC Name: 2,6-dimethoxy-4-[(Z)-prop-1-enyl]phenol
SYSTEMATIC NAME: 2,6-dimethoxy-4-[(Z)-prop-1-enyl]phenol
MOLECULAR FORMULA: C11H14O3
MOLECULAR WEIGHT: 194.22706
SMILES: C/C=C\C1=CC(=C(C(=C1)OC)O)OC
Structure:
CAS RN: 6635-22-9
CAS Name: 2,6-dimethoxy-4-[(E)-prop-1-enyl]phenol
OPENEYE Name: 2,6-dimethoxy-4-[(E)-prop-1-enyl]phenol
IUPAC Name: 2,6-dimethoxy-4-[(E)-prop-1-enyl]phenol
SYSTEMATIC NAME: 2,6-dimethoxy-4-[(E)-prop-1-enyl]phenol
MOLECULAR FORMULA: C11H14O3
MOLECULAR WEIGHT: 194.22706
SMILES: C/C=C/C1=CC(=C(C(=C1)OC)O)OC
Structure:
CAS RN: 20675-95-0
CAS Name: 2,6-dimethoxy-4-[(E)-prop-1-enyl]phenol
OPENEYE Name: 2,6-dimethoxy-4-[(E)-prop-1-enyl]phenol
IUPAC Name: 2,6-dimethoxy-4-[(E)-prop-1-enyl]phenol
SYSTEMATIC NAME: 2,6-dimethoxy-4-[(E)-prop-1-enyl]phenol
MOLECULAR FORMULA: C11H14O3
MOLECULAR WEIGHT: 194.22706
SMILES: C/C=C/C1=CC(=C(C(=C1)OC)O)OC
Structure:
CAS RN: 76681-73-7
CAS Name: (3E)-3-butylidene-1-isobenzofuranone
OPENEYE Name: (3E)-3-butylideneisobenzofuran-1-one
IUPAC Name: (3E)-3-butylidene-2-benzofuran-1-one
SYSTEMATIC NAME: (3E)-3-butylidene-2-benzofuran-1-one
MOLECULAR FORMULA: C12H12O2
MOLECULAR WEIGHT: 188.22248
SMILES: CCC/C=C/1\C2=CC=CC=C2C(=O)O1
Structure:
CAS RN: 16974-12-2
CAS Name: acetic acid [(Z)-dodec-6-enyl] ester
OPENEYE Name: [(Z)-dodec-6-enyl] acetate
IUPAC Name: [(Z)-dodec-6-enyl] acetate
SYSTEMATIC NAME: [(Z)-dodec-6-enyl] ethanoate
MOLECULAR FORMULA: C14H26O2
MOLECULAR WEIGHT: 226.35504
SMILES: CCCCC/C=C\CCCCCOC(=O)C
Structure:
CAS RN: 35153-13-0
CAS Name: acetic acid [(E)-tetradec-5-enyl] ester
OPENEYE Name: [(E)-tetradec-5-enyl] acetate
IUPAC Name: [(E)-tetradec-5-enyl] acetate
SYSTEMATIC NAME: [(E)-tetradec-5-enyl] ethanoate
MOLECULAR FORMULA: C16H30O2
MOLECULAR WEIGHT: 254.4082
SMILES: CCCCCCCC/C=C/CCCCOC(=O)C
Structure:
CAS RN: 35153-16-3
CAS Name: acetic acid [(E)-tetradec-10-enyl] ester
OPENEYE Name: [(E)-tetradec-10-enyl] acetate
IUPAC Name: [(E)-tetradec-10-enyl] acetate
SYSTEMATIC NAME: [(E)-tetradec-10-enyl] ethanoate
MOLECULAR FORMULA: C16H30O2
MOLECULAR WEIGHT: 254.4082
SMILES: CCC/C=C/CCCCCCCCCOC(=O)C
Structure:
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