CAS RN: 56640-69-8
CAS Name: (E)-1-buten-1-ol
OPENEYE Name: (E)-but-1-en-1-ol
IUPAC Name: (E)-but-1-en-1-ol
SYSTEMATIC NAME: (E)-but-1-en-1-ol
MOLECULAR FORMULA: C4H8O
MOLECULAR WEIGHT: 72.10572
SMILES: CC/C=C/O
Structure:
CAS RN: 56554-96-2
CAS Name: (E)-2-octadecenal
OPENEYE Name: (E)-octadec-2-enal
IUPAC Name: (E)-octadec-2-enal
SYSTEMATIC NAME: (E)-octadec-2-enal
MOLECULAR FORMULA: C18H34O
MOLECULAR WEIGHT: 266.46196
SMILES: CCCCCCCCCCCCCCC/C=C/C=O
Structure:
CAS RN: 56374-57-3
CAS Name: [(E)-but-2-enylidene]-triphenylphosphorane
OPENEYE Name: [(E)-but-2-enylidene]-triphenyl-$l^{5}-phosphane
IUPAC Name: [(E)-but-2-enylidene]-triphenyl-$l^{5}-phosphane
SYSTEMATIC NAME: [(E)-but-2-enylidene]-triphenyl-$l^{5}-phosphane
MOLECULAR FORMULA: C22H21P
MOLECULAR WEIGHT: 316.375901
SMILES: C/C=C/C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 5636-65-7
CAS Name: (E)-5-methyl-3-hexenoic acid
OPENEYE Name: (E)-5-methylhex-3-enoic acid
IUPAC Name: (E)-5-methylhex-3-enoic acid
SYSTEMATIC NAME: (E)-5-methylhex-3-enoic acid
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: CC(C)/C=C/CC(=O)O
Structure:
CAS RN: 55907-61-4
CAS Name: (2,4-dinitrophenyl)hydrazine hydrochloride
OPENEYE Name: (2,4-dinitrophenyl)hydrazine hydrochloride
IUPAC Name: (2,4-dinitrophenyl)hydrazine hydrochloride
SYSTEMATIC NAME: (2,4-dinitrophenyl)diazane hydrochloride
MOLECULAR FORMULA: C6H7ClN4O4
MOLECULAR WEIGHT: 234.59718
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN.Cl
Structure:
CAS RN: 55764-37-9
CAS Name: (E)-2-methyl-2-pentenoyl chloride
OPENEYE Name: (E)-2-methylpent-2-enoyl chloride
IUPAC Name: (E)-2-methylpent-2-enoyl chloride
SYSTEMATIC NAME: (E)-2-methylpent-2-enoyl chloride
MOLECULAR FORMULA: C6H9ClO
MOLECULAR WEIGHT: 132.58806
SMILES: CC/C=C(\C)/C(=O)Cl
Structure:
CAS RN: 55632-03-6
CAS Name: cyclooctatetraenyl(trimethyl)silane
OPENEYE Name: cyclooctatetraenyl(trimethyl)silane
IUPAC Name: cyclooctatetraenyl(trimethyl)silane
SYSTEMATIC NAME: cyclooctatetraenyl(trimethyl)silane
MOLECULAR FORMULA: C11H16Si
MOLECULAR WEIGHT: 176.33024
SMILES: C[Si](C)(C)/C/1=C/C=C\C=C/C=C1
Structure:
CAS RN: 5557-88-0
CAS Name: (E)-1-pent-2-en-4-ynol
OPENEYE Name: (E)-pent-2-en-4-yn-1-ol
IUPAC Name: (E)-pent-2-en-4-yn-1-ol
SYSTEMATIC NAME: (E)-pent-2-en-4-yn-1-ol
MOLECULAR FORMULA: C5H6O
MOLECULAR WEIGHT: 82.10054
SMILES: C#C/C=C/CO
Structure:
CAS RN: 5522-71-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H36N4O6
MOLECULAR WEIGHT: 620.69424
SMILES: CCC1=C2C=C3C(=C4C(=O)C(C(=C5C(C(C(=N5)C=C6C(=C(C(=CC(=C1C=O)N2)N6)C=C)C)C)CCC(=O)OC)C4=N3)C(=O)OC)C
Structure:
CAS RN: 40888-97-9
CAS Name: acetic acid 2-[(E)-2-acetyloxypropan-2-ylazo]propan-2-yl ester
OPENEYE Name: [1-[(E)-(1-acetoxy-1-methyl-ethyl)azo]-1-methyl-ethyl] acetate
IUPAC Name: 2-[(E)-2-acetyloxypropan-2-yldiazenyl]propan-2-yl acetate
SYSTEMATIC NAME: 2-[(E)-2-acetyloxypropan-2-yldiazenyl]propan-2-yl ethanoate
MOLECULAR FORMULA: C10H18N2O4
MOLECULAR WEIGHT: 230.26092
SMILES: CC(=O)OC(C)(C)/N=N/C(C)(C)OC(=O)C
Structure:
CAS RN: 55204-45-0
CAS Name: acetic acid 2-[(E)-2-acetyloxypropan-2-ylazo]propan-2-yl ester
OPENEYE Name: [1-[(E)-(1-acetoxy-1-methyl-ethyl)azo]-1-methyl-ethyl] acetate
IUPAC Name: 2-[(E)-2-acetyloxypropan-2-yldiazenyl]propan-2-yl acetate
SYSTEMATIC NAME: 2-[(E)-2-acetyloxypropan-2-yldiazenyl]propan-2-yl ethanoate
MOLECULAR FORMULA: C10H18N2O4
MOLECULAR WEIGHT: 230.26092
SMILES: CC(=O)OC(C)(C)/N=N/C(C)(C)OC(=O)C
Structure:
CAS RN: 55204-44-9
CAS Name: (E)-bis(2-methoxypropan-2-yl)diazene
OPENEYE Name: (E)-bis(1-methoxy-1-methyl-ethyl)diazene
IUPAC Name: (E)-bis(2-methoxypropan-2-yl)diazene
SYSTEMATIC NAME: (E)-bis(2-methoxypropan-2-yl)diazene
MOLECULAR FORMULA: C8H18N2O2
MOLECULAR WEIGHT: 174.24072
SMILES: CC(C)(/N=N/C(C)(C)OC)OC
Structure:
CAS RN: 54755-18-9
CAS Name: (1E,3E,5Z,7Z)-1,4-dinitrocycloocta-1,3,5,7-tetraene
OPENEYE Name: (1E,3E,5Z,7Z)-1,4-dinitrocycloocta-1,3,5,7-tetraene
IUPAC Name: (1E,3E,5Z,7Z)-1,4-dinitrocycloocta-1,3,5,7-tetraene
SYSTEMATIC NAME: (1E,3E,5Z,7Z)-1,4-dinitrocycloocta-1,3,5,7-tetraene
MOLECULAR FORMULA: C8H6N2O4
MOLECULAR WEIGHT: 194.14424
SMILES: C\1=C\C(=C/C=C(\C=C1)/[N+](=O)[O-])\[N+](=O)[O-]
Structure:
CAS RN: 5463-64-9
CAS Name: 5-[(4-amino-1-naphthalenyl)azo]-2-[(E)-2-[4-[(4-amino-1-naphthalenyl)azo]-2-sulfophenyl]ethenyl]benzenesulfonic acid
OPENEYE Name: 5-[(4-amino-1-naphthyl)azo]-2-[(E)-2-[4-[(4-amino-1-naphthyl)azo]-2-sulfo-phenyl]vinyl]benzenesulfonic acid
IUPAC Name: 5-[(4-aminonaphthalen-1-yl)diazenyl]-2-[(E)-2-[4-[(4-aminonaphthalen-1-yl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
SYSTEMATIC NAME: 5-[(4-azanylnaphthalen-1-yl)diazenyl]-2-[(E)-2-[4-[(4-azanylnaphthalen-1-yl)diazenyl]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid
MOLECULAR FORMULA: C34H26N6O6S2
MOLECULAR WEIGHT: 678.73684
SMILES: C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)N=NC5=CC=C(C6=CC=CC=C65)N)S(=O)(=O)O)S(=O)(=O)O)N
Structure:
CAS RN: 54410-57-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: H4N4
MOLECULAR WEIGHT: 60.05856
SMILES: N/N=N/N
Structure:
CAS RN: 5437-12-7
CAS Name: 5-[(2-amino-1-naphthalenyl)azo]-2-[(E)-2-[4-[(2-amino-1-naphthalenyl)azo]-2-sulfophenyl]ethenyl]benzenesulfonic acid
OPENEYE Name: 5-[(2-amino-1-naphthyl)azo]-2-[(E)-2-[4-[(2-amino-1-naphthyl)azo]-2-sulfo-phenyl]vinyl]benzenesulfonic acid
IUPAC Name: 5-[(2-aminonaphthalen-1-yl)diazenyl]-2-[(E)-2-[4-[(2-aminonaphthalen-1-yl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
SYSTEMATIC NAME: 5-[(2-azanylnaphthalen-1-yl)diazenyl]-2-[(E)-2-[4-[(2-azanylnaphthalen-1-yl)diazenyl]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid
MOLECULAR FORMULA: C34H26N6O6S2
MOLECULAR WEIGHT: 678.73684
SMILES: C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)N=NC5=C(C=CC6=CC=CC=C65)N)S(=O)(=O)O)S(=O)(=O)O)N
Structure:
CAS RN: 538-56-7
CAS Name: (E)-3-phenyl-2-propenoic acid [(E)-1-oxo-3-phenylprop-2-enyl] ester
OPENEYE Name: [(E)-3-phenylprop-2-enoyl] (E)-3-phenylprop-2-enoate
IUPAC Name: [(E)-3-phenylprop-2-enoyl] (E)-3-phenylprop-2-enoate
SYSTEMATIC NAME: [(E)-3-phenylprop-2-enoyl] (E)-3-phenylprop-2-enoate
MOLECULAR FORMULA: C18H14O3
MOLECULAR WEIGHT: 278.30196
SMILES: C1=CC=C(C=C1)/C=C/C(=O)OC(=O)/C=C/C2=CC=CC=C2
Structure:
CAS RN: 53715-47-2
CAS Name: (E)-1-ethoxy-2-(ethylthio)ethene
OPENEYE Name: (E)-1-ethoxy-2-ethylsulfanyl-ethylene
IUPAC Name: (E)-1-ethoxy-2-ethylsulfanylethene
SYSTEMATIC NAME: (E)-1-ethoxy-2-ethylsulfanyl-ethene
MOLECULAR FORMULA: C6H12OS
MOLECULAR WEIGHT: 132.22388
SMILES: CCO/C=C/SCC
Structure:
CAS RN: 5350-12-9
CAS Name: 2-[(Z)-2-(2-chlorophenyl)ethenyl]pyridine
OPENEYE Name: 2-[(Z)-2-(2-chlorophenyl)vinyl]pyridine
IUPAC Name: 2-[(Z)-2-(2-chlorophenyl)ethenyl]pyridine
SYSTEMATIC NAME: 2-[(Z)-2-(2-chlorophenyl)ethenyl]pyridine
MOLECULAR FORMULA: C13H10ClN
MOLECULAR WEIGHT: 215.6782
SMILES: C1=CC=C(C(=C1)/C=C\C2=CC=CC=N2)Cl
Structure:
CAS RN: 53477-04-6
CAS Name: (3E,5E)-octa-3,5-dien-1,7-diyne
OPENEYE Name: (3E,5E)-octa-3,5-dien-1,7-diyne
IUPAC Name: (3E,5E)-octa-3,5-dien-1,7-diyne
SYSTEMATIC NAME: (3E,5E)-octa-3,5-dien-1,7-diyne
MOLECULAR FORMULA: C8H6
MOLECULAR WEIGHT: 102.13324
SMILES: C#C/C=C/C=C/C#C
Structure:
CAS RN: 53466-03-8
CAS Name: (Z)-3-(3-nitrophenyl)-2-(4-propan-2-ylphenyl)-2-propenenitrile
OPENEYE Name: (Z)-2-(4-isopropylphenyl)-3-(3-nitrophenyl)prop-2-enenitrile
IUPAC Name: (Z)-3-(3-nitrophenyl)-2-(4-propan-2-ylphenyl)prop-2-enenitrile
SYSTEMATIC NAME: (Z)-3-(3-nitrophenyl)-2-(4-propan-2-ylphenyl)prop-2-enenitrile
MOLECULAR FORMULA: C18H16N2O2
MOLECULAR WEIGHT: 292.33184
SMILES: CC(C)C1=CC=C(C=C1)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C#N
Structure:
CAS RN: 53407-79-7
CAS Name: (Z)-3-[4-(dimethylamino)phenyl]-2-(4-propan-2-ylphenyl)-2-propenenitrile
OPENEYE Name: (Z)-3-[4-(dimethylamino)phenyl]-2-(4-isopropylphenyl)prop-2-enenitrile
IUPAC Name: (Z)-3-[4-(dimethylamino)phenyl]-2-(4-propan-2-ylphenyl)prop-2-enenitrile
SYSTEMATIC NAME: (Z)-3-[4-(dimethylamino)phenyl]-2-(4-propan-2-ylphenyl)prop-2-enenitrile
MOLECULAR FORMULA: C20H22N2
MOLECULAR WEIGHT: 290.40208
SMILES: CC(C)C1=CC=C(C=C1)/C(=C/C2=CC=C(C=C2)N(C)C)/C#N
Structure:
CAS RN: 53407-78-6
CAS Name: (Z)-3-(4-nitrophenyl)-2-(4-propan-2-ylphenyl)-2-propenenitrile
OPENEYE Name: (Z)-2-(4-isopropylphenyl)-3-(4-nitrophenyl)prop-2-enenitrile
IUPAC Name: (Z)-3-(4-nitrophenyl)-2-(4-propan-2-ylphenyl)prop-2-enenitrile
SYSTEMATIC NAME: (Z)-3-(4-nitrophenyl)-2-(4-propan-2-ylphenyl)prop-2-enenitrile
MOLECULAR FORMULA: C18H16N2O2
MOLECULAR WEIGHT: 292.33184
SMILES: CC(C)C1=CC=C(C=C1)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/C#N
Structure:
CAS RN: 53260-03-0
CAS Name: (E)-3-methoxy-2-pentene
OPENEYE Name: (E)-3-methoxypent-2-ene
IUPAC Name: (E)-3-methoxypent-2-ene
SYSTEMATIC NAME: (E)-3-methoxypent-2-ene
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 100.15888
SMILES: CC/C(=C\C)/OC
Structure:
CAS RN: 531-52-2
CAS Name: N'-anilino-N-phenyliminobenzenecarboximidamide
OPENEYE Name: N'-anilino-N-phenylimino-benzamidine
IUPAC Name: N'-anilino-N-phenyliminobenzenecarboximidamide
SYSTEMATIC NAME: N'-phenylazanyl-N-phenylimino-benzenecarboximidamide
MOLECULAR FORMULA: C19H16N4
MOLECULAR WEIGHT: 300.35714
SMILES: C1=CC=C(C=C1)/C(=N\NC2=CC=CC=C2)/N=NC3=CC=CC=C3
Structure:
CAS RN: 53146-18-2
CAS Name: 1-phenyl-N-[(Z)-prop-1-enyl]methanimine
OPENEYE Name: 1-phenyl-N-[(Z)-prop-1-enyl]methanimine
IUPAC Name: 1-phenyl-N-[(Z)-prop-1-enyl]methanimine
SYSTEMATIC NAME: 1-phenyl-N-[(Z)-prop-1-enyl]methanimine
MOLECULAR FORMULA: C10H11N
MOLECULAR WEIGHT: 145.20104
SMILES: C/C=C\N=CC1=CC=CC=C1
Structure:
CAS RN: 53119-72-5
CAS Name: (E)-2-methoxy-4-methyl-2-pentene
OPENEYE Name: (E)-2-methoxy-4-methyl-pent-2-ene
IUPAC Name: (E)-2-methoxy-4-methylpent-2-ene
SYSTEMATIC NAME: (E)-2-methoxy-4-methyl-pent-2-ene
MOLECULAR FORMULA: C7H14O
MOLECULAR WEIGHT: 114.18546
SMILES: CC(C)/C=C(\C)/OC
Structure:
CAS RN: 52345-51-4
CAS Name: (E)-4-tert-butyldioxy-4-oxo-2-butenoic acid prop-2-enyl ester
OPENEYE Name: allyl (E)-4-tert-butylperoxy-4-oxo-but-2-enoate
IUPAC Name: prop-2-enyl (E)-4-tert-butylperoxy-4-oxobut-2-enoate
SYSTEMATIC NAME: prop-2-enyl (E)-4-tert-butylperoxy-4-oxidanylidene-but-2-enoate
MOLECULAR FORMULA: C11H16O5
MOLECULAR WEIGHT: 228.24174
SMILES: CC(C)(C)OOC(=O)/C=C/C(=O)OCC=C
Structure:
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