Product OPENEYE NAME: 3-ethyl-2-hydroperoxy-2-methyl-henicosane
CAS Name: 3-ethyl-2-hydroperoxy-2-methylheneicosane
IUPAC NAME: 3-ethyl-2-hydroperoxy-2-methylhenicosane
SYSTEMATIC NAME: 2-(dioxidanyl)-3-ethyl-2-methyl-henicosane
MOLECULAR FORMULA: C24H50O2
MOLECULAR WEIGHT: 370.6526
SMILES: CCCCCCCCCCCCCCCCCCC(CC)C(C)(C)OO
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Product OPENEYE NAME: chloro 2-chloro-2-oxo-acetate
CAS Name: 2-chloro-2-oxoacetic acid chloro ester
IUPAC NAME: chloro 2-chloro-2-oxoacetate
SYSTEMATIC NAME: chloranyl 2-chloranyl-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C2Cl2O3
MOLECULAR WEIGHT: 142.9256
SMILES: C(=O)(C(=O)Cl)OCl
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Product OPENEYE NAME: 1,1-dichloroethylene; vinyloxyethylene
CAS Name: 1,1-dichloroethene; ethenoxyethene
IUPAC NAME: 1,1-dichloroethene; ethenoxyethene
SYSTEMATIC NAME: 1,1-bis(chloranyl)ethene; ethenoxyethene
MOLECULAR FORMULA: C6H8Cl2O
MOLECULAR WEIGHT: 167.03312
SMILES: C=COC=C.C=C(Cl)Cl
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Product OPENEYE NAME: (2Z,4E)-2,5,6-trimethylhepta-2,4-dienal
CAS Name: (2Z,4E)-2,5,6-trimethylhepta-2,4-dienal
IUPAC NAME: (2Z,4E)-2,5,6-trimethylhepta-2,4-dienal
SYSTEMATIC NAME: (2Z,4E)-2,5,6-trimethylhepta-2,4-dienal
MOLECULAR FORMULA: C10H16O
MOLECULAR WEIGHT: 152.23344
SMILES: CC(C)/C(=C/C=C(/C)\C=O)/C
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Product OPENEYE NAME: (E)-7-methyl-6-methylene-oct-3-en-2-one
CAS Name: (E)-7-methyl-6-methylene-3-octen-2-one
IUPAC NAME: (E)-7-methyl-6-methylideneoct-3-en-2-one
SYSTEMATIC NAME: (E)-7-methyl-6-methylidene-oct-3-en-2-one
MOLECULAR FORMULA: C10H16O
MOLECULAR WEIGHT: 152.23344
SMILES: CC(C)C(=C)C/C=C/C(=O)C
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Product OPENEYE NAME: (Z)-2,6-dimethyl-5-methylene-hept-2-en-1-ol
CAS Name: (Z)-2,6-dimethyl-5-methylene-2-hepten-1-ol
IUPAC NAME: (Z)-2,6-dimethyl-5-methylidenehept-2-en-1-ol
SYSTEMATIC NAME: (Z)-2,6-dimethyl-5-methylidene-hept-2-en-1-ol
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: CC(C)C(=C)C/C=C(/C)\CO
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Product OPENEYE NAME: potassium sodium dithiocyanate
CAS Name: potassium sodium dithiocyanate
IUPAC NAME: potassium sodium dithiocyanate
SYSTEMATIC NAME: potassium sodium dithiocyanate
MOLECULAR FORMULA: C2KN2NaS2
MOLECULAR WEIGHT: 178.25287
SMILES: C(#N)[S-].C(#N)[S-].[Na+].[K+]
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Product OPENEYE NAME: aminomethyl 4-isocyanato-2,2-dimethyl-butanoate
CAS Name: 4-isocyanato-2,2-dimethylbutanoic acid aminomethyl ester
IUPAC NAME: aminomethyl 4-isocyanato-2,2-dimethylbutanoate
SYSTEMATIC NAME: aminomethyl 4-isocyanato-2,2-dimethyl-butanoate
MOLECULAR FORMULA: C8H14N2O3
MOLECULAR WEIGHT: 186.20836
SMILES: CC(C)(CCN=C=O)C(=O)OCN
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Product OPENEYE NAME: methyl 2,4-diamino-2-methyl-pentanoate
CAS Name: 2,4-diamino-2-methylpentanoic acid methyl ester
IUPAC NAME: methyl 2,4-diamino-2-methylpentanoate
SYSTEMATIC NAME: methyl 2,4-bis(azanyl)-2-methyl-pentanoate
MOLECULAR FORMULA: C7H16N2O2
MOLECULAR WEIGHT: 160.21414
SMILES: CC(CC(C)(C(=O)OC)N)N
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Product OPENEYE NAME: 1,3-diisocyanato-3-methyl-butane
CAS Name: 1,3-diisocyanato-3-methylbutane
IUPAC NAME: 1,3-diisocyanato-3-methylbutane
SYSTEMATIC NAME: 1,3-diisocyanato-3-methyl-butane
MOLECULAR FORMULA: C7H10N2O2
MOLECULAR WEIGHT: 154.1665
SMILES: CC(C)(CCN=C=O)N=C=O
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Product OPENEYE NAME: [3,5-bis[(6-diazo-5-hydroxy-7H-naphthalen-1-yl)sulfonyloxy]phenyl] 6-diazo-5-hydroxy-7H-naphthalene-1-sulfonate
CAS Name: 6-diazo-5-hydroxy-7H-naphthalene-1-sulfonic acid [3,5-bis[(6-diazo-5-hydroxy-7H-naphthalen-1-yl)sulfonyloxy]phenyl] ester
IUPAC NAME: [3,5-bis[(6-diazo-5-hydroxy-7H-naphthalen-1-yl)sulfonyloxy]phenyl] 6-diazo-5-hydroxy-7H-naphthalene-1-sulfonate
SYSTEMATIC NAME: [3,5-bis[(6-diazo-5-oxidanyl-7H-naphthalen-1-yl)sulfonyloxy]phenyl] 6-diazo-5-oxidanyl-7H-naphthalene-1-sulfonate
MOLECULAR FORMULA: C36H24N6O12S3
MOLECULAR WEIGHT: 828.80376
SMILES: C1C=C2C(=C(C1=[N+]=[N-])O)C=CC=C2S(=O)(=O)OC3=CC(=CC(=C3)OS(=O)(=O)C4=CC=CC5=C(C(=[N+]=[N-])CC=C54)O)OS(=O)(=O)C6=CC=CC7=C(C(=[N+]=[N-])CC=C76)O
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Product OPENEYE NAME: 2-amino-2-(2,6-dichlorophenyl)-2-phenyl-acetic acid
CAS Name: 2-amino-2-(2,6-dichlorophenyl)-2-phenylacetic acid
IUPAC NAME: 2-amino-2-(2,6-dichlorophenyl)-2-phenylacetic acid
SYSTEMATIC NAME: 2-azanyl-2-[2,6-bis(chloranyl)phenyl]-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C14H11Cl2NO2
MOLECULAR WEIGHT: 296.14864
SMILES: C1=CC=C(C=C1)C(C2=C(C=CC=C2Cl)Cl)(C(=O)O)N
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Product OPENEYE NAME: 4-chloro-2-(2,2-diphenylhydrazino)naphthalen-1-ol
CAS Name: 4-chloro-2-(2,2-diphenylhydrazinyl)-1-naphthalenol
IUPAC NAME: 4-chloro-2-(2,2-diphenylhydrazinyl)naphthalen-1-ol
SYSTEMATIC NAME: 4-chloranyl-2-(2,2-diphenylhydrazinyl)naphthalen-1-ol
MOLECULAR FORMULA: C22H17ClN2O
MOLECULAR WEIGHT: 360.83618
SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)NC3=C(C4=CC=CC=C4C(=C3)Cl)O
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Product OPENEYE NAME: 2-ethyl-1-(1-piperidyl)piperidine
CAS Name: 2-ethyl-1-(1-piperidinyl)piperidine
IUPAC NAME: 2-ethyl-1-piperidin-1-ylpiperidine
SYSTEMATIC NAME: 2-ethyl-1-piperidin-1-yl-piperidine
MOLECULAR FORMULA: C12H24N2
MOLECULAR WEIGHT: 196.33236
SMILES: CCC1CCCCN1N2CCCCC2
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Product OPENEYE NAME: 4-ethyl-1-(1-piperidyl)piperidine
CAS Name: 4-ethyl-1-(1-piperidinyl)piperidine
IUPAC NAME: 4-ethyl-1-piperidin-1-ylpiperidine
SYSTEMATIC NAME: 4-ethyl-1-piperidin-1-yl-piperidine
MOLECULAR FORMULA: C12H24N2
MOLECULAR WEIGHT: 196.33236
SMILES: CCC1CCN(CC1)N2CCCCC2
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Product OPENEYE NAME: (2E)-3-ethyl-2-[(E)-[3-ethyl-6-(1-naphthyloxysulfonyl)-1,3-benzothiazol-2-ylidene]hydrazono]-1,3-benzothiazole-6-sulfonic acid
CAS Name: (2E)-3-ethyl-2-[(E)-[3-ethyl-6-(1-naphthalenyloxysulfonyl)-1,3-benzothiazol-2-ylidene]hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid
IUPAC NAME: (2E)-3-ethyl-2-[(E)-(3-ethyl-6-naphthalen-1-yloxysulfonyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid
SYSTEMATIC NAME: (2E)-3-ethyl-2-[(E)-(3-ethyl-6-naphthalen-1-yloxysulfonyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid
MOLECULAR FORMULA: C28H24N4O6S4
MOLECULAR WEIGHT: 640.77336
SMILES: CCN\1C2=C(C=C(C=C2)S(=O)(=O)O)S/C1=N/N=C/3\N(C4=C(S3)C=C(C=C4)S(=O)(=O)OC5=CC=CC6=CC=CC=C65)CC
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Product OPENEYE NAME: (Z)-2-[[(Z)-benzylidene(6-hydroxyhexoxy)ammonio]-nitro-phenyl-methyl]-3-phenyl-prop-2-enoate
CAS Name: (Z)-2-[[(Z)-6-hydroxyhexoxy-(phenylmethylene)ammonio]-nitro-phenylmethyl]-3-phenyl-2-propenoate
IUPAC NAME: (Z)-2-[[(Z)-benzylidene(6-hydroxyhexoxy)azaniumyl]-nitro-phenylmethyl]-3-phenylprop-2-enoate
SYSTEMATIC NAME: (Z)-2-[nitro-[(Z)-6-oxidanylhexoxy-(phenylmethylidene)azaniumyl]-phenyl-methyl]-3-phenyl-prop-2-enoate
MOLECULAR FORMULA: C29H30N2O6
MOLECULAR WEIGHT: 502.5583
SMILES: C1=CC=C(C=C1)/C=C(\C(=O)[O-])/C(C2=CC=CC=C2)(/[N+](=C/C3=CC=CC=C3)/OCCCCCCO)[N+](=O)[O-]
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