CAS RN: 51186-33-5
CAS Name: dodecyl(dimethyl)sulfonium; methyl sulfate
OPENEYE Name: dodecyl(dimethyl)sulfonium; methyl sulfate
IUPAC Name: dodecyl(dimethyl)sulfanium; methyl sulfate
SYSTEMATIC NAME: dodecyl(dimethyl)sulfanium; methyl sulfate
MOLECULAR FORMULA: C15H34O4S2
MOLECULAR WEIGHT: 342.55806
SMILES: CCCCCCCCCCCC[S+](C)C.COS(=O)(=O)[O-]
Structure:
CAS RN: 51156-89-9
CAS Name: 2-methyl-2-propenoic acid (2,3,4-tribromophenyl) ester
OPENEYE Name: (2,3,4-tribromophenyl) 2-methylprop-2-enoate
IUPAC Name: (2,3,4-tribromophenyl) 2-methylprop-2-enoate
SYSTEMATIC NAME: [2,3,4-tris(bromanyl)phenyl] 2-methylprop-2-enoate
MOLECULAR FORMULA: C10H7Br3O2
MOLECULAR WEIGHT: 398.87338
SMILES: CC(=C)C(=O)OC1=C(C(=C(C=C1)Br)Br)Br
Structure:
CAS RN: 51148-68-6
CAS Name: 11-dodecenal
OPENEYE Name: dodec-11-enal
IUPAC Name: dodec-11-enal
SYSTEMATIC NAME: dodec-11-enal
MOLECULAR FORMULA: C12H22O
MOLECULAR WEIGHT: 182.30248
SMILES: C=CCCCCCCCCCC=O
Structure:
CAS RN: 51134-60-2
CAS Name: 3-bromo-2-octanone
OPENEYE Name: 3-bromooctan-2-one
IUPAC Name: 3-bromooctan-2-one
SYSTEMATIC NAME: 3-bromanyloctan-2-one
MOLECULAR FORMULA: C8H15BrO
MOLECULAR WEIGHT: 207.1081
SMILES: CCCCCC(C(=O)C)Br
Structure:
CAS RN: 51121-88-1
CAS Name: 2,4-dimethyloctane-1,8-diamine
OPENEYE Name: 2,4-dimethyloctane-1,8-diamine
IUPAC Name: 2,4-dimethyloctane-1,8-diamine
SYSTEMATIC NAME: 2,4-dimethyloctane-1,8-diamine
MOLECULAR FORMULA: C10H24N2
MOLECULAR WEIGHT: 172.31096
SMILES: CC(CCCCN)CC(C)CN
Structure:
CAS RN: 51115-86-7
CAS Name: N,2-di(butan-2-yl)-3-methylpentanamide
OPENEYE Name: 3-methyl-N,2-disec-butyl-pentanamide
IUPAC Name: N,2-di(butan-2-yl)-3-methylpentanamide
SYSTEMATIC NAME: N,2-di(butan-2-yl)-3-methyl-pentanamide
MOLECULAR FORMULA: C14H29NO
MOLECULAR WEIGHT: 227.38616
SMILES: CCC(C)C(C(C)CC)C(=O)NC(C)CC
Structure:
CAS RN: 51115-83-4
CAS Name: 2-butan-2-yl-2,3-dimethyl-N-propan-2-ylpentanamide
OPENEYE Name: N-isopropyl-2,3-dimethyl-2-sec-butyl-pentanamide
IUPAC Name: 2-butan-2-yl-2,3-dimethyl-N-propan-2-ylpentanamide
SYSTEMATIC NAME: 2-butan-2-yl-2,3-dimethyl-N-propan-2-yl-pentanamide
MOLECULAR FORMULA: C14H29NO
MOLECULAR WEIGHT: 227.38616
SMILES: CCC(C)C(C)(C(C)CC)C(=O)NC(C)C
Structure:
CAS RN: 51115-81-2
CAS Name: 2,3-dimethyl-2-propan-2-ylbutanoyl chloride
OPENEYE Name: 2-isopropyl-2,3-dimethyl-butanoyl chloride
IUPAC Name: 2,3-dimethyl-2-propan-2-ylbutanoyl chloride
SYSTEMATIC NAME: 2,3-dimethyl-2-propan-2-yl-butanoyl chloride
MOLECULAR FORMULA: C9H17ClO
MOLECULAR WEIGHT: 176.68368
SMILES: CC(C)C(C)(C(C)C)C(=O)Cl
Structure:
CAS RN: 51115-80-1
CAS Name: N-ethyl-2,4-dimethyl-2-(2-methylpropyl)pentanamide
OPENEYE Name: N-ethyl-2-isobutyl-2,4-dimethyl-pentanamide
IUPAC Name: N-ethyl-2,4-dimethyl-2-(2-methylpropyl)pentanamide
SYSTEMATIC NAME: N-ethyl-2,4-dimethyl-2-(2-methylpropyl)pentanamide
MOLECULAR FORMULA: C13H27NO
MOLECULAR WEIGHT: 213.35958
SMILES: CCNC(=O)C(C)(CC(C)C)CC(C)C
Structure:
CAS RN: 51115-79-8
CAS Name: N-ethyl-2-methyl-2-propan-2-ylhexanamide
OPENEYE Name: N-ethyl-2-isopropyl-2-methyl-hexanamide
IUPAC Name: N-ethyl-2-methyl-2-propan-2-ylhexanamide
SYSTEMATIC NAME: N-ethyl-2-methyl-2-propan-2-yl-hexanamide
MOLECULAR FORMULA: C12H25NO
MOLECULAR WEIGHT: 199.333
SMILES: CCCCC(C)(C(C)C)C(=O)NCC
Structure:
CAS RN: 51115-78-7
CAS Name: N-ethyl-3-methyl-2-(2-methylpropyl)pentanamide
OPENEYE Name: N-ethyl-2-isobutyl-3-methyl-pentanamide
IUPAC Name: N-ethyl-3-methyl-2-(2-methylpropyl)pentanamide
SYSTEMATIC NAME: N-ethyl-3-methyl-2-(2-methylpropyl)pentanamide
MOLECULAR FORMULA: C12H25NO
MOLECULAR WEIGHT: 199.333
SMILES: CCC(C)C(CC(C)C)C(=O)NCC
Structure:
CAS RN: 51115-76-5
CAS Name: N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2-propan-2-ylbutanamide
OPENEYE Name: N-(2-hydroxy-1,1-dimethyl-ethyl)-2-isopropyl-2,3-dimethyl-butanamide
IUPAC Name: N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2-propan-2-ylbutanamide
SYSTEMATIC NAME: 2,3-dimethyl-N-(2-methyl-1-oxidanyl-propan-2-yl)-2-propan-2-yl-butanamide
MOLECULAR FORMULA: C13H27NO2
MOLECULAR WEIGHT: 229.35898
SMILES: CC(C)C(C)(C(C)C)C(=O)NC(C)(C)CO
Structure:
CAS RN: 51115-75-4
CAS Name: N,N,2,2-tetraethyl-3-methylbutanamide
OPENEYE Name: N,N,2,2-tetraethyl-3-methyl-butanamide
IUPAC Name: N,N,2,2-tetraethyl-3-methylbutanamide
SYSTEMATIC NAME: N,N,2,2-tetraethyl-3-methyl-butanamide
MOLECULAR FORMULA: C13H27NO
MOLECULAR WEIGHT: 213.35958
SMILES: CCC(CC)(C(C)C)C(=O)N(CC)CC
Structure:
CAS RN: 51115-73-2
CAS Name: N,2,2-triethyl-3-methylbutanamide
OPENEYE Name: N,2,2-triethyl-3-methyl-butanamide
IUPAC Name: N,2,2-triethyl-3-methylbutanamide
SYSTEMATIC NAME: N,2,2-triethyl-3-methyl-butanamide
MOLECULAR FORMULA: C11H23NO
MOLECULAR WEIGHT: 185.30642
SMILES: CCC(CC)(C(C)C)C(=O)NCC
Structure:
CAS RN: 51115-72-1
CAS Name: N,N,2-trimethyl-2-propan-2-ylhexanamide
OPENEYE Name: 2-isopropyl-N,N,2-trimethyl-hexanamide
IUPAC Name: N,N,2-trimethyl-2-propan-2-ylhexanamide
SYSTEMATIC NAME: N,N,2-trimethyl-2-propan-2-yl-hexanamide
MOLECULAR FORMULA: C12H25NO
MOLECULAR WEIGHT: 199.333
SMILES: CCCCC(C)(C(C)C)C(=O)N(C)C
Structure:
CAS RN: 51115-71-0
CAS Name: N-ethyl-2,3-dimethyl-2-propan-2-ylbutanamide
OPENEYE Name: N-ethyl-2-isopropyl-2,3-dimethyl-butanamide
IUPAC Name: N-ethyl-2,3-dimethyl-2-propan-2-ylbutanamide
SYSTEMATIC NAME: N-ethyl-2,3-dimethyl-2-propan-2-yl-butanamide
MOLECULAR FORMULA: C11H23NO
MOLECULAR WEIGHT: 185.30642
SMILES: CCNC(=O)C(C)(C(C)C)C(C)C
Structure:
CAS RN: 51115-70-9
CAS Name: N,2-diethyl-3-methyl-2-propan-2-ylbutanamide
OPENEYE Name: N,2-diethyl-2-isopropyl-3-methyl-butanamide
IUPAC Name: N,2-diethyl-3-methyl-2-propan-2-ylbutanamide
SYSTEMATIC NAME: N,2-diethyl-3-methyl-2-propan-2-yl-butanamide
MOLECULAR FORMULA: C12H25NO
MOLECULAR WEIGHT: 199.333
SMILES: CCC(C(C)C)(C(C)C)C(=O)NCC
Structure:
CAS RN: 51115-69-6
CAS Name: N,N,2,3-tetramethyl-2-propan-2-ylbutanamide
OPENEYE Name: 2-isopropyl-N,N,2,3-tetramethyl-butanamide
IUPAC Name: N,N,2,3-tetramethyl-2-propan-2-ylbutanamide
SYSTEMATIC NAME: N,N,2,3-tetramethyl-2-propan-2-yl-butanamide
MOLECULAR FORMULA: C11H23NO
MOLECULAR WEIGHT: 185.30642
SMILES: CC(C)C(C)(C(C)C)C(=O)N(C)C
Structure:
CAS RN: 51113-41-8
CAS Name: 1,6-di(propan-2-yl)naphthalene
OPENEYE Name: 1,6-diisopropylnaphthalene
IUPAC Name: 1,6-di(propan-2-yl)naphthalene
SYSTEMATIC NAME: 1,6-di(propan-2-yl)naphthalene
MOLECULAR FORMULA: C16H20
MOLECULAR WEIGHT: 212.33
SMILES: CC(C)C1=CC2=C(C=C1)C(=CC=C2)C(C)C
Structure:
CAS RN: 51105-45-4
CAS Name: triphenyl(1H-pyrazol-5-yl)plumbane
OPENEYE Name: triphenyl(1H-pyrazol-5-yl)plumbane
IUPAC Name: triphenyl(1H-pyrazol-5-yl)plumbane
SYSTEMATIC NAME: triphenyl(1H-pyrazol-5-yl)plumbane
MOLECULAR FORMULA: C21H18N2Pb
MOLECULAR WEIGHT: 505.58102
SMILES: C1=CC=C(C=C1)[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=NN4
Structure:
CAS RN: 51084-27-6
CAS Name: 2-chloro-4-sulfobenzoic acid
OPENEYE Name: 2-chloro-4-sulfo-benzoic acid
IUPAC Name: 2-chloro-4-sulfobenzoic acid
SYSTEMATIC NAME: 2-chloranyl-4-sulfo-benzoic acid
MOLECULAR FORMULA: C7H5ClO5S
MOLECULAR WEIGHT: 236.6296
SMILES: C1=CC(=C(C=C1S(=O)(=O)O)Cl)C(=O)O
Structure:
CAS RN: 51079-79-9
CAS Name: 4,6,6-trimethyl-2-heptanol
OPENEYE Name: 4,6,6-trimethylheptan-2-ol
IUPAC Name: 4,6,6-trimethylheptan-2-ol
SYSTEMATIC NAME: 4,6,6-trimethylheptan-2-ol
MOLECULAR FORMULA: C10H22O
MOLECULAR WEIGHT: 158.28108
SMILES: CC(CC(C)O)CC(C)(C)C
Structure:
CAS RN: 51072-35-6
CAS Name: 1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydroisoquinoline
OPENEYE Name: 1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydroisoquinoline
IUPAC Name: 1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydroisoquinoline
SYSTEMATIC NAME: 1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydroisoquinoline
MOLECULAR FORMULA: C17H21NO
MOLECULAR WEIGHT: 255.35474
SMILES: COC1=CC=C(C=C1)CC2=NCCC3=C2CCCC3
Structure:
CAS RN: 51052-01-8
CAS Name: 5,5-dihydroxypentanal
OPENEYE Name: 5,5-dihydroxypentanal
IUPAC Name: 5,5-dihydroxypentanal
SYSTEMATIC NAME: 5,5-bis(oxidanyl)pentanal
MOLECULAR FORMULA: C5H10O3
MOLECULAR WEIGHT: 118.1311
SMILES: C(CC=O)CC(O)O
Structure:
CAS RN: 51037-74-2
CAS Name: 2-bromo-4-chloro-1-(4-fluorophenyl)-1-butanone
OPENEYE Name: 2-bromo-4-chloro-1-(4-fluorophenyl)butan-1-one
IUPAC Name: 2-bromo-4-chloro-1-(4-fluorophenyl)butan-1-one
SYSTEMATIC NAME: 2-bromanyl-4-chloranyl-1-(4-fluorophenyl)butan-1-one
MOLECULAR FORMULA: C10H9BrClFO
MOLECULAR WEIGHT: 279.533263
SMILES: C1=CC(=CC=C1C(=O)C(CCCl)Br)F
Structure:
CAS RN: 50992-44-4
CAS Name: 4-chloro-3-methyl-5-propan-2-ylphenol
OPENEYE Name: 4-chloro-3-isopropyl-5-methyl-phenol
IUPAC Name: 4-chloro-3-methyl-5-propan-2-ylphenol
SYSTEMATIC NAME: 4-chloranyl-3-methyl-5-propan-2-yl-phenol
MOLECULAR FORMULA: C10H13ClO
MOLECULAR WEIGHT: 184.66262
SMILES: CC1=CC(=CC(=C1Cl)C(C)C)O
Structure:
CAS RN: 50992-43-3
CAS Name: 4-chloro-3-methyl-2-propan-2-ylphenol
OPENEYE Name: 4-chloro-2-isopropyl-3-methyl-phenol
IUPAC Name: 4-chloro-3-methyl-2-propan-2-ylphenol
SYSTEMATIC NAME: 4-chloranyl-3-methyl-2-propan-2-yl-phenol
MOLECULAR FORMULA: C10H13ClO
MOLECULAR WEIGHT: 184.66262
SMILES: CC1=C(C=CC(=C1C(C)C)O)Cl
Structure:
CAS RN: 50976-18-6
CAS Name: oxolane-2,2-diol
OPENEYE Name: tetrahydrofuran-2,2-diol
IUPAC Name: oxolane-2,2-diol
SYSTEMATIC NAME: oxolane-2,2-diol
MOLECULAR FORMULA: C4H8O3
MOLECULAR WEIGHT: 104.10452
SMILES: C1CC(OC1)(O)O
Structure:
CAS RN: 50972-58-2
CAS Name: 2-propenoic acid hexatriacontan-17-yl ester
OPENEYE Name: 1-hexadecylicosyl prop-2-enoate
IUPAC Name: hexatriacontan-17-yl prop-2-enoate
SYSTEMATIC NAME: hexatriacontan-17-yl prop-2-enoate
MOLECULAR FORMULA: C39H76O2
MOLECULAR WEIGHT: 577.01954
SMILES: CCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)OC(=O)C=C
Structure:
CAS RN: 50972-56-0
CAS Name: 2-propenoic acid heptacosan-13-yl ester
OPENEYE Name: 1-dodecylpentadecyl prop-2-enoate
IUPAC Name: heptacosan-13-yl prop-2-enoate
SYSTEMATIC NAME: heptacosan-13-yl prop-2-enoate
MOLECULAR FORMULA: C30H58O2
MOLECULAR WEIGHT: 450.78032
SMILES: CCCCCCCCCCCCCCC(CCCCCCCCCCCC)OC(=O)C=C
Structure:
CAS RN: 50939-39-4
CAS Name: [5-chloro-2-(2,2,2-trifluoroethylamino)phenyl]-(2-fluorophenyl)methanone
OPENEYE Name: [5-chloro-2-(2,2,2-trifluoroethylamino)phenyl]-(2-fluorophenyl)methanone
IUPAC Name: [5-chloro-2-(2,2,2-trifluoroethylamino)phenyl]-(2-fluorophenyl)methanone
SYSTEMATIC NAME: [5-chloranyl-2-[2,2,2-tris(fluoranyl)ethylamino]phenyl]-(2-fluorophenyl)methanone
MOLECULAR FORMULA: C15H10ClF4NO
MOLECULAR WEIGHT: 331.692613
SMILES: C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Cl)NCC(F)(F)F)F
Structure:
CAS RN: 50904-50-2
CAS Name: 1-[dimethylamino(phenylimino)methyl]-3,3-dimethyl-1-phenylthiourea
OPENEYE Name: 1-(N,N-dimethyl-N'-phenyl-carbamimidoyl)-3,3-dimethyl-1-phenyl-thiourea
IUPAC Name: 1-(N,N-dimethyl-N'-phenylcarbamimidoyl)-3,3-dimethyl-1-phenylthiourea
SYSTEMATIC NAME: 1-(N,N-dimethyl-N'-phenyl-carbamimidoyl)-3,3-dimethyl-1-phenyl-thiourea
MOLECULAR FORMULA: C18H22N4S
MOLECULAR WEIGHT: 326.45908
SMILES: CN(C)C(=NC1=CC=CC=C1)N(C2=CC=CC=C2)C(=S)N(C)C
Structure:
CAS RN: 50893-37-3
CAS Name: 2-(3-thiophenyl)acetic acid (phenylmethyl) ester
OPENEYE Name: benzyl 2-(3-thienyl)acetate
IUPAC Name: benzyl 2-thiophen-3-ylacetate
SYSTEMATIC NAME: (phenylmethyl) 2-thiophen-3-ylethanoate
MOLECULAR FORMULA: C13H12O2S
MOLECULAR WEIGHT: 232.29818
SMILES: C1=CC=C(C=C1)COC(=O)CC2=CSC=C2
Structure:
CAS RN: 50874-76-5
CAS Name: 2,2,3-trimethyl-1-cyclohexanone
OPENEYE Name: 2,2,3-trimethylcyclohexanone
IUPAC Name: 2,2,3-trimethylcyclohexan-1-one
SYSTEMATIC NAME: 2,2,3-trimethylcyclohexan-1-one
MOLECULAR FORMULA: C9H16O
MOLECULAR WEIGHT: 140.22274
SMILES: CC1CCCC(=O)C1(C)C
Structure:
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