Product OPENEYE NAME: chlorobenzene; 2,2,2-trifluoroacetic acid
CAS Name: chlorobenzene; 2,2,2-trifluoroacetic acid
IUPAC NAME: chlorobenzene; 2,2,2-trifluoroacetic acid
SYSTEMATIC NAME: chloranylbenzene; 2,2,2-tris(fluoranyl)ethanoic acid
MOLECULAR FORMULA: C8H6ClF3O2
MOLECULAR WEIGHT: 226.58025
SMILES: C1=CC=C(C=C1)Cl.C(=O)(C(F)(F)F)O
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Product OPENEYE NAME: 1-butoxybutane; ethyl acetate; 2,2,2-trifluoroacetic acid
CAS Name: acetic acid ethyl ester; 1-butoxybutane; 2,2,2-trifluoroacetic acid
IUPAC NAME: 1-butoxybutane; ethyl acetate; 2,2,2-trifluoroacetic acid
SYSTEMATIC NAME: 1-butoxybutane; ethyl ethanoate; 2,2,2-tris(fluoranyl)ethanoic acid
MOLECULAR FORMULA: C14H27F3O5
MOLECULAR WEIGHT: 332.35639
SMILES: CCCCOCCCC.CCOC(=O)C.C(=O)(C(F)(F)F)O
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Product OPENEYE NAME: 2-[4,5-diiodo-2,3-bis[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]phenyl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Name: 2-[4,5-diiodo-2,3-bis[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC NAME: 2-[4,5-diiodo-2,3-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-[2,3-bis[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4,5-bis(iodanyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C24H34I2O15
MOLECULAR WEIGHT: 816.3267
SMILES: C1=C(C(=C(C(=C1I)I)C2C(C(C(C(O2)CO)O)O)O)C3C(C(C(C(O3)CO)O)O)O)C4C(C(C(C(O4)CO)O)O)O
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Product OPENEYE NAME: 6-amino-2-benzyl-1,3-dioxepan-5-ol
CAS Name: 6-amino-2-(phenylmethyl)-1,3-dioxepan-5-ol
IUPAC NAME: 6-amino-2-benzyl-1,3-dioxepan-5-ol
SYSTEMATIC NAME: 6-azanyl-2-(phenylmethyl)-1,3-dioxepan-5-ol
MOLECULAR FORMULA: C12H17NO3
MOLECULAR WEIGHT: 223.26828
SMILES: C1C(C(COC(O1)CC2=CC=CC=C2)O)N
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Product OPENEYE NAME: isophthalic acid; methanamine
CAS Name: benzene-1,3-dicarboxylic acid; methanamine
IUPAC NAME: benzene-1,3-dicarboxylic acid; methanamine
SYSTEMATIC NAME: benzene-1,3-dicarboxylic acid; methanamine
MOLECULAR FORMULA: C9H11NO4
MOLECULAR WEIGHT: 197.18794
SMILES: CN.C1=CC(=CC(=C1)C(=O)O)C(=O)O
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Product OPENEYE NAME: acetaldehyde dichloride
CAS Name: acetaldehyde dichloride
IUPAC NAME: acetaldehyde dichloride
SYSTEMATIC NAME: ethanal dichloride
MOLECULAR FORMULA: C2H4Cl2O-2
MOLECULAR WEIGHT: 114.95856
SMILES: CC=O.[Cl-].[Cl-]
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Product OPENEYE NAME: (2-oxoethylamino) acetate
CAS Name: acetic acid (2-oxoethylamino) ester
IUPAC NAME: (2-oxoethylamino) acetate
SYSTEMATIC NAME: (2-oxidanylideneethylamino) ethanoate
MOLECULAR FORMULA: C4H7NO3
MOLECULAR WEIGHT: 117.10328
SMILES: CC(=O)ONCC=O
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Product OPENEYE NAME: 6-amino-2-phenyl-1,3-dioxepan-5-ol
CAS Name: 6-amino-2-phenyl-1,3-dioxepan-5-ol
IUPAC NAME: 6-amino-2-phenyl-1,3-dioxepan-5-ol
SYSTEMATIC NAME: 6-azanyl-2-phenyl-1,3-dioxepan-5-ol
MOLECULAR FORMULA: C11H15NO3
MOLECULAR WEIGHT: 209.2417
SMILES: C1C(C(COC(O1)C2=CC=CC=C2)O)N
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Product OPENEYE NAME: 6-amino-2,2-dipropyl-1,3-dioxepan-5-ol
CAS Name: 6-amino-2,2-dipropyl-1,3-dioxepan-5-ol
IUPAC NAME: 6-amino-2,2-dipropyl-1,3-dioxepan-5-ol
SYSTEMATIC NAME: 6-azanyl-2,2-dipropyl-1,3-dioxepan-5-ol
MOLECULAR FORMULA: C11H23NO3
MOLECULAR WEIGHT: 217.30522
SMILES: CCCC1(OCC(C(CO1)O)N)CCC
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Product OPENEYE NAME: dioxepan-3-ol
CAS Name: 3-dioxepanol
IUPAC NAME: dioxepan-3-ol
SYSTEMATIC NAME: 1,2-dioxepan-3-ol
MOLECULAR FORMULA: C5H10O3
MOLECULAR WEIGHT: 118.1311
SMILES: C1CCOOC(C1)O
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Product OPENEYE NAME: 6-amino-2-(methoxymethyl)-2-methyl-1,3-dioxepan-5-ol
CAS Name: 6-amino-2-(methoxymethyl)-2-methyl-1,3-dioxepan-5-ol
IUPAC NAME: 6-amino-2-(methoxymethyl)-2-methyl-1,3-dioxepan-5-ol
SYSTEMATIC NAME: 6-azanyl-2-(methoxymethyl)-2-methyl-1,3-dioxepan-5-ol
MOLECULAR FORMULA: C8H17NO4
MOLECULAR WEIGHT: 191.22488
SMILES: CC1(OCC(C(CO1)O)N)COC
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Product OPENEYE NAME: N1,N3-bis[2,3-dihydroxy-1-(hydroxymethyl)propyl]-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzene-1,3-dicarboxamide
CAS Name: 2,4,6-triiodo-5-[(2-methoxy-1-oxoethyl)amino]-N1,N3-bis(1,3,4-trihydroxybutan-2-yl)benzene-1,3-dicarboxamide
IUPAC NAME: 2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-1-N,3-N-bis(1,3,4-trihydroxybutan-2-yl)benzene-1,3-dicarboxamide
SYSTEMATIC NAME: 2,4,6-tris(iodanyl)-5-(2-methoxyethanoylamino)-N1,N3-bis[1,3,4-tris(oxidanyl)butan-2-yl]benzene-1,3-dicarboxamide
MOLECULAR FORMULA: C19H26I3N3O10
MOLECULAR WEIGHT: 837.13725
SMILES: COCC(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CO)C(CO)O)I)C(=O)NC(CO)C(CO)O)I
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Product OPENEYE NAME: 5-hydroxy-1,3-dioxepane-2,2-dicarboxamide
CAS Name: 5-hydroxy-1,3-dioxepane-2,2-dicarboxamide
IUPAC NAME: 5-hydroxy-1,3-dioxepane-2,2-dicarboxamide
SYSTEMATIC NAME: 5-oxidanyl-1,3-dioxepane-2,2-dicarboxamide
MOLECULAR FORMULA: C7H12N2O5
MOLECULAR WEIGHT: 204.18058
SMILES: C1COC(OCC1O)(C(=O)N)C(=O)N
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Product OPENEYE NAME: 6-amino-2-ethyl-2-methyl-1,3-dioxepan-5-ol
CAS Name: 6-amino-2-ethyl-2-methyl-1,3-dioxepan-5-ol
IUPAC NAME: 6-amino-2-ethyl-2-methyl-1,3-dioxepan-5-ol
SYSTEMATIC NAME: 6-azanyl-2-ethyl-2-methyl-1,3-dioxepan-5-ol
MOLECULAR FORMULA: C8H17NO3
MOLECULAR WEIGHT: 175.22548
SMILES: CCC1(OCC(C(CO1)O)N)C
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