Product OPENEYE NAME: (2-aminophenyl) thiocyanate
CAS Name: thiocyanic acid (2-aminophenyl) ester
IUPAC NAME: (2-aminophenyl) thiocyanate
SYSTEMATIC NAME: (2-aminophenyl) thiocyanate
MOLECULAR FORMULA: C7H6N2S
MOLECULAR WEIGHT: 150.20094
SMILES: C1=CC=C(C(=C1)N)SC#N
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CAS Name:
IUPAC NAME:
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MOLECULAR FORMULA: C33H18CoN8O2+2
MOLECULAR WEIGHT: 617.48162
SMILES: C1=CC=C2C(=C1)C3=NC4=C5C(=C(N4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=CC=CC=C9C(=N8)N=C2N3)C=CC=C5C(=O)O.[Co+2]
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Product OPENEYE NAME: [chloro(cyanomethyl)amino]methylphosphonic acid
CAS Name: [chloro(cyanomethyl)amino]methylphosphonic acid
IUPAC NAME: [chloro(cyanomethyl)amino]methylphosphonic acid
SYSTEMATIC NAME: [chloranyl(cyanomethyl)amino]methylphosphonic acid
MOLECULAR FORMULA: C3H6ClN2O3P
MOLECULAR WEIGHT: 184.518101
SMILES: C(C#N)N(CP(=O)(O)O)Cl
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Product OPENEYE NAME: [bromo(cyanomethyl)amino]methylphosphonic acid
CAS Name: [bromo(cyanomethyl)amino]methylphosphonic acid
IUPAC NAME: [bromo(cyanomethyl)amino]methylphosphonic acid
SYSTEMATIC NAME: [bromanyl(cyanomethyl)amino]methylphosphonic acid
MOLECULAR FORMULA: C3H6BrN2O3P
MOLECULAR WEIGHT: 228.969101
SMILES: C(C#N)N(CP(=O)(O)O)Br
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Product OPENEYE NAME: 2H-thiazine-3,4-dicarboxylate
CAS Name: 2H-thiazine-3,4-dicarboxylate
IUPAC NAME: 2H-thiazine-3,4-dicarboxylate
SYSTEMATIC NAME: 2H-1,2-thiazine-3,4-dicarboxylate
MOLECULAR FORMULA: C6H3NO4S-2
MOLECULAR WEIGHT: 185.15732
SMILES: C1=CSNC(=C1C(=O)[O-])C(=O)[O-]
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Product OPENEYE NAME: 2H-thiazine-3,4-dicarboxylic acid
CAS Name: 2H-thiazine-3,4-dicarboxylic acid
IUPAC NAME: 2H-thiazine-3,4-dicarboxylic acid
SYSTEMATIC NAME: 2H-1,2-thiazine-3,4-dicarboxylic acid
MOLECULAR FORMULA: C6H5NO4S
MOLECULAR WEIGHT: 187.1732
SMILES: C1=CSNC(=C1C(=O)O)C(=O)O
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Product OPENEYE NAME: (Z)-3-amino-4,4,5,5,6,6,6-heptafluoro-hex-2-enoate
CAS Name: (Z)-3-amino-4,4,5,5,6,6,6-heptafluoro-2-hexenoate
IUPAC NAME: (Z)-3-amino-4,4,5,5,6,6,6-heptafluorohex-2-enoate
SYSTEMATIC NAME: (Z)-3-azanyl-4,4,5,5,6,6,6-heptakis(fluoranyl)hex-2-enoate
MOLECULAR FORMULA: C6H3F7NO2-
MOLECULAR WEIGHT: 254.082342
SMILES: C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\N)\C(=O)[O-]
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Product OPENEYE NAME: (Z)-3-amino-4,4,5,5,6,6,6-heptafluoro-hex-2-enoic acid
CAS Name: (Z)-3-amino-4,4,5,5,6,6,6-heptafluoro-2-hexenoic acid
IUPAC NAME: (Z)-3-amino-4,4,5,5,6,6,6-heptafluorohex-2-enoic acid
SYSTEMATIC NAME: (Z)-3-azanyl-4,4,5,5,6,6,6-heptakis(fluoranyl)hex-2-enoic acid
MOLECULAR FORMULA: C6H4F7NO2
MOLECULAR WEIGHT: 255.090282
SMILES: C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\N)\C(=O)O
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Product OPENEYE NAME: pyrrole-1,2-dicarboxylate
CAS Name: pyrrole-1,2-dicarboxylate
IUPAC NAME: pyrrole-1,2-dicarboxylate
SYSTEMATIC NAME: pyrrole-1,2-dicarboxylate
MOLECULAR FORMULA: C6H3NO4-2
MOLECULAR WEIGHT: 153.09232
SMILES: C1=CN(C(=C1)C(=O)[O-])C(=O)[O-]
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Product OPENEYE NAME: pyrrole-1,2-dicarboxylic acid
CAS Name: pyrrole-1,2-dicarboxylic acid
IUPAC NAME: pyrrole-1,2-dicarboxylic acid
SYSTEMATIC NAME: pyrrole-1,2-dicarboxylic acid
MOLECULAR FORMULA: C6H5NO4
MOLECULAR WEIGHT: 155.1082
SMILES: C1=CN(C(=C1)C(=O)O)C(=O)O
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Product OPENEYE NAME: diethyl 3-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-1,4-thiazine-2,6-dicarboxylate
CAS Name: 3-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-1,4-thiazine-2,6-dicarboxylic acid diethyl ester
IUPAC NAME: diethyl 3-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-1,4-thiazine-2,6-dicarboxylate
SYSTEMATIC NAME: diethyl 3-[1,1,2,2,3,3,3-heptakis(fluoranyl)propyl]-2H-1,4-thiazine-2,6-dicarboxylate
MOLECULAR FORMULA: C13H12F7NO4S
MOLECULAR WEIGHT: 411.292502
SMILES: CCOC(=O)C1C(=NC=C(S1)C(=O)OCC)C(C(C(F)(F)F)(F)F)(F)F
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Product OPENEYE NAME: benzoic acid; 3-oxobutanamide
CAS Name: benzoic acid; 3-oxobutanamide
IUPAC NAME: benzoic acid; 3-oxobutanamide
SYSTEMATIC NAME: benzoic acid; 3-oxidanylidenebutanamide
MOLECULAR FORMULA: C11H13NO4
MOLECULAR WEIGHT: 223.22522
SMILES: CC(=O)CC(=O)N.C1=CC=C(C=C1)C(=O)O
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Product OPENEYE NAME: 4-chloro-5-hydroxy-naphthalene-1-sulfonic acid
CAS Name: 4-chloro-5-hydroxy-1-naphthalenesulfonic acid
IUPAC NAME: 4-chloro-5-hydroxynaphthalene-1-sulfonic acid
SYSTEMATIC NAME: 4-chloranyl-5-oxidanyl-naphthalene-1-sulfonic acid
MOLECULAR FORMULA: C10H7ClO4S
MOLECULAR WEIGHT: 258.67818
SMILES: C1=CC2=C(C=CC(=C2C(=C1)O)Cl)S(=O)(=O)O
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Product OPENEYE NAME: (E)-N,N-dimethyloctadec-12-en-1-amine
CAS Name: (E)-N,N-dimethyl-12-octadecen-1-amine
IUPAC NAME: (E)-N,N-dimethyloctadec-12-en-1-amine
SYSTEMATIC NAME: (E)-N,N-dimethyloctadec-12-en-1-amine
MOLECULAR FORMULA: C20H41N
MOLECULAR WEIGHT: 295.54624
SMILES: CCCCC/C=C/CCCCCCCCCCCN(C)C
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Product OPENEYE NAME: 4-(4-amino-2-methoxy-phenyl)-3-methoxy-aniline dihydrochloride
CAS Name: 4-(4-amino-2-methoxyphenyl)-3-methoxyaniline dihydrochloride
IUPAC NAME: 4-(4-amino-2-methoxyphenyl)-3-methoxyaniline dihydrochloride
SYSTEMATIC NAME: 4-(4-azanyl-2-methoxy-phenyl)-3-methoxy-aniline dihydrochloride
MOLECULAR FORMULA: C14H18Cl2N2O2
MOLECULAR WEIGHT: 317.21092
SMILES: COC1=C(C=CC(=C1)N)C2=C(C=C(C=C2)N)OC.Cl.Cl
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Product OPENEYE NAME: 3-chloro-5-methyl-benzenesulfonic acid
CAS Name: 3-chloro-5-methylbenzenesulfonic acid
IUPAC NAME: 3-chloro-5-methylbenzenesulfonic acid
SYSTEMATIC NAME: 3-chloranyl-5-methyl-benzenesulfonic acid
MOLECULAR FORMULA: C7H7ClO3S
MOLECULAR WEIGHT: 206.64668
SMILES: CC1=CC(=CC(=C1)Cl)S(=O)(=O)O
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Product OPENEYE NAME: chromous hexahydrate
CAS Name: chromium(2+) hexahydrate
IUPAC NAME: chromium(2+) hexahydrate
SYSTEMATIC NAME: chromium(2+) hexahydrate
MOLECULAR FORMULA: CrH12O6+2
MOLECULAR WEIGHT: 160.08778
SMILES: O.O.O.O.O.O.[Cr+2]
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Product OPENEYE NAME: 4-(1-ethylallyl)bicyclo[2.2.2]oct-5-en-2-one
CAS Name: 4-pent-1-en-3-yl-2-bicyclo[2.2.2]oct-5-enone
IUPAC NAME: 4-pent-1-en-3-ylbicyclo[2.2.2]oct-5-en-2-one
SYSTEMATIC NAME: 4-pent-1-en-3-ylbicyclo[2.2.2]oct-5-en-2-one
MOLECULAR FORMULA: C13H18O
MOLECULAR WEIGHT: 190.28142
SMILES: CCC(C=C)C12CCC(C=C1)C(=O)C2
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Product OPENEYE NAME: bicyclo[4.2.0]oct-1(6)-en-5-one
CAS Name: 5-bicyclo[4.2.0]oct-1(6)-enone
IUPAC NAME: bicyclo[4.2.0]oct-1(6)-en-5-one
SYSTEMATIC NAME: bicyclo[4.2.0]oct-1(6)-en-5-one
MOLECULAR FORMULA: C8H10O
MOLECULAR WEIGHT: 122.1644
SMILES: C1CC2=C(CC2)C(=O)C1
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Product OPENEYE NAME: 4-butylbicyclo[2.2.2]oct-2-en-5-one
CAS Name: 4-butyl-5-bicyclo[2.2.2]oct-2-enone
IUPAC NAME: 4-butylbicyclo[2.2.2]oct-2-en-5-one
SYSTEMATIC NAME: 4-butylbicyclo[2.2.2]oct-2-en-5-one
MOLECULAR FORMULA: C12H18O
MOLECULAR WEIGHT: 178.27072
SMILES: CCCCC12CCC(CC1=O)C=C2
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Product OPENEYE NAME: 1-(1-ethylallyl)cyclohexa-1,4-diene
CAS Name: 1-pent-1-en-3-ylcyclohexa-1,4-diene
IUPAC NAME: 1-pent-1-en-3-ylcyclohexa-1,4-diene
SYSTEMATIC NAME: 1-pent-1-en-3-ylcyclohexa-1,4-diene
MOLECULAR FORMULA: C11H16
MOLECULAR WEIGHT: 148.24474
SMILES: CCC(C=C)C1=CCC=CC1
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