Product OPENEYE NAME: heptane
CAS Name: heptane
IUPAC NAME: heptane
SYSTEMATIC NAME: heptane
MOLECULAR FORMULA: C7H16
MOLECULAR WEIGHT: 100.20194
SMILES: CCCCCCC
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Product OPENEYE NAME: hexa-2,4-dienal
CAS Name: hexa-2,4-dienal
IUPAC NAME: hexa-2,4-dienal
SYSTEMATIC NAME: hexa-2,4-dienal
MOLECULAR FORMULA: C6H8O
MOLECULAR WEIGHT: 96.12712
SMILES: CC=CC=CC=O
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Product OPENEYE NAME: N-propylpropan-1-amine
CAS Name: N-propyl-1-propanamine
IUPAC NAME: N-propylpropan-1-amine
SYSTEMATIC NAME: N-propylpropan-1-amine
MOLECULAR FORMULA: C6H15N
MOLECULAR WEIGHT: 101.19
SMILES: CCCNCCC
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Product OPENEYE NAME: decyl hydrogen sulfate
CAS Name: sulfuric acid decyl ester
IUPAC NAME: decyl hydrogen sulfate
SYSTEMATIC NAME: decyl hydrogen sulfate
MOLECULAR FORMULA: C10H22O4S
MOLECULAR WEIGHT: 238.34428
SMILES: CCCCCCCCCCOS(=O)(=O)O
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Product OPENEYE NAME: adipic acid; piperazine
CAS Name: hexanedioic acid; piperazine
IUPAC NAME: hexanedioic acid; piperazine
SYSTEMATIC NAME: hexanedioic acid; piperazine
MOLECULAR FORMULA: C10H20N2O4
MOLECULAR WEIGHT: 232.2768
SMILES: C1CNCCN1.C(CCC(=O)O)CC(=O)O
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Product OPENEYE NAME: dodecyl 2-methylprop-2-enoate
CAS Name: 2-methyl-2-propenoic acid dodecyl ester
IUPAC NAME: dodecyl 2-methylprop-2-enoate
SYSTEMATIC NAME: dodecyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C16H30O2
MOLECULAR WEIGHT: 254.4082
SMILES: CCCCCCCCCCCCOC(=O)C(=C)C
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Product OPENEYE NAME: isopropyl hexadecanoate
CAS Name: hexadecanoic acid propan-2-yl ester
IUPAC NAME: propan-2-yl hexadecanoate
SYSTEMATIC NAME: propan-2-yl hexadecanoate
MOLECULAR FORMULA: C19H38O2
MOLECULAR WEIGHT: 298.50382
SMILES: CCCCCCCCCCCCCCCC(=O)OC(C)C
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Product OPENEYE NAME: hexyl acetate
CAS Name: acetic acid hexyl ester
IUPAC NAME: hexyl acetate
SYSTEMATIC NAME: hexyl ethanoate
MOLECULAR FORMULA: C8H16O2
MOLECULAR WEIGHT: 144.21144
SMILES: CCCCCCOC(=O)C
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Product OPENEYE NAME: 1-butoxybutane
CAS Name: 1-butoxybutane
IUPAC NAME: 1-butoxybutane
SYSTEMATIC NAME: 1-butoxybutane
MOLECULAR FORMULA: C8H18O
MOLECULAR WEIGHT: 130.22792
SMILES: CCCCOCCCC
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Product OPENEYE NAME: dodecyl hydrogen sulfate; 2-(2-hydroxyethylamino)ethanol
CAS Name: 2-(2-hydroxyethylamino)ethanol; sulfuric acid dodecyl ester
IUPAC NAME: dodecyl hydrogen sulfate; 2-(2-hydroxyethylamino)ethanol
SYSTEMATIC NAME: dodecyl hydrogen sulfate; 2-(2-hydroxyethylamino)ethanol
MOLECULAR FORMULA: C16H37NO6S
MOLECULAR WEIGHT: 371.53308
SMILES: CCCCCCCCCCCCOS(=O)(=O)O.C(CO)NCCO
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Product OPENEYE NAME: hexadecyl hydrogen sulfate
CAS Name: sulfuric acid hexadecyl ester
IUPAC NAME: hexadecyl hydrogen sulfate
SYSTEMATIC NAME: hexadecyl hydrogen sulfate
MOLECULAR FORMULA: C16H34O4S
MOLECULAR WEIGHT: 322.50376
SMILES: CCCCCCCCCCCCCCCCOS(=O)(=O)O
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Product OPENEYE NAME: octadecyl hydrogen sulfate
CAS Name: sulfuric acid octadecyl ester
IUPAC NAME: octadecyl hydrogen sulfate
SYSTEMATIC NAME: octadecyl hydrogen sulfate
MOLECULAR FORMULA: C18H38O4S
MOLECULAR WEIGHT: 350.55692
SMILES: CCCCCCCCCCCCCCCCCCOS(=O)(=O)O
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