Product OPENEYE NAME: ethyl pentanoate
CAS Name: pentanoic acid ethyl ester
IUPAC NAME: ethyl pentanoate
SYSTEMATIC NAME: ethyl pentanoate
MOLECULAR FORMULA: C7H14O2
MOLECULAR WEIGHT: 130.18486
SMILES: CCCCC(=O)OCC
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Product OPENEYE NAME: ethyl 4-oxopentanoate
CAS Name: 4-oxopentanoic acid ethyl ester
IUPAC NAME: ethyl 4-oxopentanoate
SYSTEMATIC NAME: ethyl 4-oxidanylidenepentanoate
MOLECULAR FORMULA: C7H12O3
MOLECULAR WEIGHT: 144.16838
SMILES: CCOC(=O)CCC(=O)C
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Product OPENEYE NAME: ethyl N-isobutylcarbamate
CAS Name: N-(2-methylpropyl)carbamic acid ethyl ester
IUPAC NAME: ethyl N-(2-methylpropyl)carbamate
SYSTEMATIC NAME: ethyl N-(2-methylpropyl)carbamate
MOLECULAR FORMULA: C7H15NO2
MOLECULAR WEIGHT: 145.1995
SMILES: CCOC(=O)NCC(C)C
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Product OPENEYE NAME: isobutyl butanoate
CAS Name: butanoic acid 2-methylpropyl ester
IUPAC NAME: 2-methylpropyl butanoate
SYSTEMATIC NAME: 2-methylpropyl butanoate
MOLECULAR FORMULA: C8H16O2
MOLECULAR WEIGHT: 144.21144
SMILES: CCCC(=O)OCC(C)C
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Product OPENEYE NAME: pentyl hexanoate
CAS Name: hexanoic acid pentyl ester
IUPAC NAME: pentyl hexanoate
SYSTEMATIC NAME: pentyl hexanoate
MOLECULAR FORMULA: C11H22O2
MOLECULAR WEIGHT: 186.29118
SMILES: CCCCCC(=O)OCCCCC
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Product OPENEYE NAME: heptadecan-9-one
CAS Name: 9-heptadecanone
IUPAC NAME: heptadecan-9-one
SYSTEMATIC NAME: heptadecan-9-one
MOLECULAR FORMULA: C17H34O
MOLECULAR WEIGHT: 254.45126
SMILES: CCCCCCCCC(=O)CCCCCCCC
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Product OPENEYE NAME: tricosan-12-one
CAS Name: 12-tricosanone
IUPAC NAME: tricosan-12-one
SYSTEMATIC NAME: tricosan-12-one
MOLECULAR FORMULA: C23H46O
MOLECULAR WEIGHT: 338.61074
SMILES: CCCCCCCCCCCC(=O)CCCCCCCCCCC
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Product OPENEYE NAME: hexadecyl hexadecanoate
CAS Name: hexadecanoic acid hexadecyl ester
IUPAC NAME: hexadecyl hexadecanoate
SYSTEMATIC NAME: hexadecyl hexadecanoate
MOLECULAR FORMULA: C32H64O2
MOLECULAR WEIGHT: 480.84936
SMILES: CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC
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Product OPENEYE NAME: pentyl butanoate
CAS Name: butanoic acid pentyl ester
IUPAC NAME: pentyl butanoate
SYSTEMATIC NAME: pentyl butanoate
MOLECULAR FORMULA: C9H18O2
MOLECULAR WEIGHT: 158.23802
SMILES: CCCCCOC(=O)CCC
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Product OPENEYE NAME: 4-methylaniline hydrochloride
CAS Name: 4-methylaniline hydrochloride
IUPAC NAME: 4-methylaniline hydrochloride
SYSTEMATIC NAME: 4-methylaniline hydrochloride
MOLECULAR FORMULA: C7H10ClN
MOLECULAR WEIGHT: 143.614
SMILES: CC1=CC=C(C=C1)N.Cl
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Product OPENEYE NAME: 1,4-difluorobenzene
CAS Name: 1,4-difluorobenzene
IUPAC NAME: 1,4-difluorobenzene
SYSTEMATIC NAME: 1,4-bis(fluoranyl)benzene
MOLECULAR FORMULA: C6H4F2
MOLECULAR WEIGHT: 114.092766
SMILES: C1=CC(=CC=C1F)F
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Product OPENEYE NAME: 4-iodoaniline
CAS Name: 4-iodoaniline
IUPAC NAME: 4-iodoaniline
SYSTEMATIC NAME: 4-iodanylaniline
MOLECULAR FORMULA: C6H6IN
MOLECULAR WEIGHT: 219.02301
SMILES: C1=CC(=CC=C1N)I
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Product OPENEYE NAME: 4-iodophenol
CAS Name: 4-iodophenol
IUPAC NAME: 4-iodophenol
SYSTEMATIC NAME: 4-iodanylphenol
MOLECULAR FORMULA: C6H5IO
MOLECULAR WEIGHT: 220.00777
SMILES: C1=CC(=CC=C1O)I
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