Product OPENEYE NAME: zinc (2E,4E,6E)-7-oxidooxyhepta-2,4,6-trienenitrile
CAS Name: zinc (2E,4E,6E)-7-oxidooxyhepta-2,4,6-trienenitrile
IUPAC NAME: zinc (2E,4E,6E)-7-oxidooxyhepta-2,4,6-trienenitrile
SYSTEMATIC NAME: zinc (2E,4E,6E)-7-oxidanidyloxyhepta-2,4,6-trienenitrile
MOLECULAR FORMULA: C14H12N2O4Zn
MOLECULAR WEIGHT: 337.66508
SMILES: C(=C/C=C/O[O-])\C=C\C#N.C(=C/C=C/O[O-])\C=C\C#N.[Zn+2]
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Product OPENEYE NAME: (2E,4E,6E)-7-hydroperoxyhepta-2,4,6-trienenitrile
CAS Name: (2E,4E,6E)-7-hydroperoxyhepta-2,4,6-trienenitrile
IUPAC NAME: (2E,4E,6E)-7-hydroperoxyhepta-2,4,6-trienenitrile
SYSTEMATIC NAME: (2E,4E,6E)-7-(dioxidanyl)hepta-2,4,6-trienenitrile
MOLECULAR FORMULA: C7H7NO2
MOLECULAR WEIGHT: 137.13598
SMILES: C(=C/C=C/OO)\C=C\C#N
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Product OPENEYE NAME: 2-methyl-37,39-dipropyl-pentapentacontane
CAS Name: 2-methyl-37,39-dipropylpentapentacontane
IUPAC NAME: 2-methyl-37,39-dipropylpentapentacontane
SYSTEMATIC NAME: 2-methyl-37,39-dipropyl-pentapentacontane
MOLECULAR FORMULA: C62H126
MOLECULAR WEIGHT: 871.66384
SMILES: CCCCCCCCCCCCCCCCC(CCC)CC(CCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C
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Product OPENEYE NAME: 1-(diisobutylamino)ethanol
CAS Name: 1-[bis(2-methylpropyl)amino]ethanol
IUPAC NAME: 1-[bis(2-methylpropyl)amino]ethanol
SYSTEMATIC NAME: 1-[bis(2-methylpropyl)amino]ethanol
MOLECULAR FORMULA: C10H23NO
MOLECULAR WEIGHT: 173.29572
SMILES: CC(C)CN(CC(C)C)C(C)O
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Product OPENEYE NAME: 1-(disec-butylamino)ethanol
CAS Name: 1-[di(butan-2-yl)amino]ethanol
IUPAC NAME: 1-[di(butan-2-yl)amino]ethanol
SYSTEMATIC NAME: 1-[di(butan-2-yl)amino]ethanol
MOLECULAR FORMULA: C10H23NO
MOLECULAR WEIGHT: 173.29572
SMILES: CCC(C)N(C(C)CC)C(C)O
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Product OPENEYE NAME: 1-(dipropylamino)butan-1-ol
CAS Name: 1-(dipropylamino)-1-butanol
IUPAC NAME: 1-(dipropylamino)butan-1-ol
SYSTEMATIC NAME: 1-(dipropylamino)butan-1-ol
MOLECULAR FORMULA: C10H23NO
MOLECULAR WEIGHT: 173.29572
SMILES: CCCC(N(CCC)CCC)O
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Product OPENEYE NAME: 3-isopropyl-2,5-dimethyl-hexan-3-ol
CAS Name: 2,5-dimethyl-3-propan-2-yl-3-hexanol
IUPAC NAME: 2,5-dimethyl-3-propan-2-ylhexan-3-ol
SYSTEMATIC NAME: 2,5-dimethyl-3-propan-2-yl-hexan-3-ol
MOLECULAR FORMULA: C11H24O
MOLECULAR WEIGHT: 172.30766
SMILES: CC(C)CC(C(C)C)(C(C)C)O
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Product OPENEYE NAME: 1-(diisopentylamino)ethanol
CAS Name: 1-[bis(3-methylbutyl)amino]ethanol
IUPAC NAME: 1-[bis(3-methylbutyl)amino]ethanol
SYSTEMATIC NAME: 1-[bis(3-methylbutyl)amino]ethanol
MOLECULAR FORMULA: C12H27NO
MOLECULAR WEIGHT: 201.34888
SMILES: CC(C)CCN(CCC(C)C)C(C)O
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Product OPENEYE NAME: 2-chlorophenol; 4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
CAS Name: 2-chlorophenol; 4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
IUPAC NAME: 2-chlorophenol; 4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
SYSTEMATIC NAME: 2-chloranylphenol; 4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
MOLECULAR FORMULA: C16H21ClO
MOLECULAR WEIGHT: 264.79034
SMILES: CC1=CCC2CC1C2(C)C.C1=CC=C(C(=C1)O)Cl
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Product OPENEYE NAME: chloromethane; 2,2,2-trifluoroacetic acid
CAS Name: chloromethane; 2,2,2-trifluoroacetic acid
IUPAC NAME: chloromethane; 2,2,2-trifluoroacetic acid
SYSTEMATIC NAME: chloranylmethane; 2,2,2-tris(fluoranyl)ethanoic acid
MOLECULAR FORMULA: C3H4ClF3O2
MOLECULAR WEIGHT: 164.51087
SMILES: CCl.C(=O)(C(F)(F)F)O
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Product OPENEYE NAME: 2,2-dibutyloctadecanoate
CAS Name: 2,2-dibutyloctadecanoate
IUPAC NAME: 2,2-dibutyloctadecanoate
SYSTEMATIC NAME: 2,2-dibutyloctadecanoate
MOLECULAR FORMULA: C26H51O2-
MOLECULAR WEIGHT: 395.68194
SMILES: CCCCCCCCCCCCCCCCC(CCCC)(CCCC)C(=O)[O-]
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Product OPENEYE NAME: 3-(3,5-ditert-butylphenyl)-N-[6-[[3-(3,5-ditert-butylphenyl)-2-hydroxy-propanoyl]amino]hexyl]-2-hydroxy-propanamide
CAS Name: 3-(3,5-ditert-butylphenyl)-N-[6-[[3-(3,5-ditert-butylphenyl)-2-hydroxy-1-oxopropyl]amino]hexyl]-2-hydroxypropanamide
IUPAC NAME: 3-(3,5-ditert-butylphenyl)-N-[6-[[3-(3,5-ditert-butylphenyl)-2-hydroxypropanoyl]amino]hexyl]-2-hydroxypropanamide
SYSTEMATIC NAME: 3-(3,5-ditert-butylphenyl)-N-[6-[[3-(3,5-ditert-butylphenyl)-2-oxidanyl-propanoyl]amino]hexyl]-2-oxidanyl-propanamide
MOLECULAR FORMULA: C40H64N2O4
MOLECULAR WEIGHT: 636.94716
SMILES: CC(C)(C)C1=CC(=CC(=C1)CC(C(=O)NCCCCCCNC(=O)C(CC2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)O)O)C(C)(C)C
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Product OPENEYE NAME: 2-bromo-4-[4-(3-bromo-4-hydroxy-5-methyl-phenyl)butyl]-6-methyl-phenol
CAS Name: 2-bromo-4-[4-(3-bromo-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol
IUPAC NAME: 2-bromo-4-[4-(3-bromo-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol
SYSTEMATIC NAME: 2-bromanyl-4-[4-(3-bromanyl-5-methyl-4-oxidanyl-phenyl)butyl]-6-methyl-phenol
MOLECULAR FORMULA: C18H20Br2O2
MOLECULAR WEIGHT: 428.1582
SMILES: CC1=C(C(=CC(=C1)CCCCC2=CC(=C(C(=C2)Br)O)C)Br)O
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Product OPENEYE NAME: 1-chloronaphthalene-2,7-disulfonyl chloride
CAS Name: 1-chloronaphthalene-2,7-disulfonyl chloride
IUPAC NAME: 1-chloronaphthalene-2,7-disulfonyl chloride
SYSTEMATIC NAME: 1-chloranylnaphthalene-2,7-disulfonyl chloride
MOLECULAR FORMULA: C10H5Cl3O4S2
MOLECULAR WEIGHT: 359.6333
SMILES: C1=CC(=CC2=C1C=CC(=C2Cl)S(=O)(=O)Cl)S(=O)(=O)Cl
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Product OPENEYE NAME: 2-isocyanatobenzenesulfonyl fluoride
CAS Name: 2-isocyanatobenzenesulfonyl fluoride
IUPAC NAME: 2-isocyanatobenzenesulfonyl fluoride
SYSTEMATIC NAME: 2-isocyanatobenzenesulfonyl fluoride
MOLECULAR FORMULA: C7H4FNO3S
MOLECULAR WEIGHT: 201.174963
SMILES: C1=CC=C(C(=C1)N=C=O)S(=O)(=O)F
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Product OPENEYE NAME: 2-ethoxynaphthalene-1,6-disulfonyl chloride
CAS Name: 2-ethoxynaphthalene-1,6-disulfonyl chloride
IUPAC NAME: 2-ethoxynaphthalene-1,6-disulfonyl chloride
SYSTEMATIC NAME: 2-ethoxynaphthalene-1,6-disulfonyl chloride
MOLECULAR FORMULA: C12H10Cl2O5S2
MOLECULAR WEIGHT: 369.2408
SMILES: CCOC1=C(C2=C(C=C1)C=C(C=C2)S(=O)(=O)Cl)S(=O)(=O)Cl
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Product OPENEYE NAME: 2-[(1Z)-1-(3H-1,3-benzothiazol-2-ylidene)ethyl]-3-methyl-phenanthro[9,10-d]thiazol-3-ium iodide
CAS Name: 2-[(1Z)-1-(3H-1,3-benzothiazol-2-ylidene)ethyl]-3-methylphenanthro[9,10-d]thiazol-3-ium iodide
IUPAC NAME: 2-[(1Z)-1-(3H-1,3-benzothiazol-2-ylidene)ethyl]-3-methylphenanthro[9,10-d][1,3]thiazol-3-ium iodide
SYSTEMATIC NAME: 2-[(1Z)-1-(3H-1,3-benzothiazol-2-ylidene)ethyl]-3-methyl-phenanthro[9,10-d][1,3]thiazol-3-ium iodide
MOLECULAR FORMULA: C25H19IN2S2
MOLECULAR WEIGHT: 538.46623
SMILES: C/C(=C/1\NC2=CC=CC=C2S1)/C3=[N+](C4=C(S3)C5=CC=CC=C5C6=CC=CC=C64)C.[I-]
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Product OPENEYE NAME: 2-[(1Z)-1-(3H-1,3-benzothiazol-2-ylidene)ethyl]-3-methyl-phenanthro[9,10-d]thiazol-3-ium
CAS Name: 2-[(1Z)-1-(3H-1,3-benzothiazol-2-ylidene)ethyl]-3-methylphenanthro[9,10-d]thiazol-3-ium
IUPAC NAME: 2-[(1Z)-1-(3H-1,3-benzothiazol-2-ylidene)ethyl]-3-methylphenanthro[9,10-d][1,3]thiazol-3-ium
SYSTEMATIC NAME: 2-[(1Z)-1-(3H-1,3-benzothiazol-2-ylidene)ethyl]-3-methyl-phenanthro[9,10-d][1,3]thiazol-3-ium
MOLECULAR FORMULA: C25H19N2S2+
MOLECULAR WEIGHT: 411.56176
SMILES: C/C(=C/1\NC2=CC=CC=C2S1)/C3=[N+](C4=C(S3)C5=CC=CC=C5C6=CC=CC=C64)C
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Product OPENEYE NAME: 1,2-dihydroacenaphthylene-1-sulfonyl chloride
CAS Name: 1,2-dihydroacenaphthylene-1-sulfonyl chloride
IUPAC NAME: 1,2-dihydroacenaphthylene-1-sulfonyl chloride
SYSTEMATIC NAME: 1,2-dihydroacenaphthylene-1-sulfonyl chloride
MOLECULAR FORMULA: C12H9ClO2S
MOLECULAR WEIGHT: 252.71666
SMILES: C1C(C2=CC=CC3=C2C1=CC=C3)S(=O)(=O)Cl
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Product OPENEYE NAME: cyclopentene-1-carboxylate; 4-methylbenzenesulfonic acid
CAS Name: 1-cyclopentenecarboxylate; 4-methylbenzenesulfonic acid
IUPAC NAME: cyclopentene-1-carboxylate; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: cyclopentene-1-carboxylate; 4-methylbenzenesulfonic acid
MOLECULAR FORMULA: C13H15O5S-
MOLECULAR WEIGHT: 283.3202
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1CC=C(C1)C(=O)[O-]
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Product OPENEYE NAME: (Z)-2-methyl-5-(p-tolylsulfonyloxy)pent-2-enoate
CAS Name: (Z)-2-methyl-5-(4-methylphenyl)sulfonyloxy-2-pentenoate
IUPAC NAME: (Z)-2-methyl-5-(4-methylphenyl)sulfonyloxypent-2-enoate
SYSTEMATIC NAME: (Z)-2-methyl-5-(4-methylphenyl)sulfonyloxy-pent-2-enoate
MOLECULAR FORMULA: C13H15O5S-
MOLECULAR WEIGHT: 283.3202
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC/C=C(/C)\C(=O)[O-]
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Product OPENEYE NAME: (Z)-2-methyl-5-(p-tolylsulfonyloxy)pent-2-enoic acid
CAS Name: (Z)-2-methyl-5-(4-methylphenyl)sulfonyloxy-2-pentenoic acid
IUPAC NAME: (Z)-2-methyl-5-(4-methylphenyl)sulfonyloxypent-2-enoic acid
SYSTEMATIC NAME: (Z)-2-methyl-5-(4-methylphenyl)sulfonyloxy-pent-2-enoic acid
MOLECULAR FORMULA: C13H16O5S
MOLECULAR WEIGHT: 284.32814
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC/C=C(/C)\C(=O)O
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