Chemical Name: Phenol, 2,5-dimethyl-
IUPAC Name: 2,5-dimethylphenol
CAS RN: 95-87-4
Description: single chemical compound
STRUCTURE Formula: C8H10O
Molecular Weight: 122.1644
SMILES: Oc(c(ccc1C)C)c1
Note:
Chemical Name: Benzene, 1,2,4,5-tetrachloro-
IUPAC Name: 1,2,4,5-tetrachlorobenzene
CAS RN: 95-94-3
Description: single chemical compound
STRUCTURE Formula: C6H2Cl4
Molecular Weight: 215.8921
SMILES: Clc1cc(Cl)c(Cl)cc1Cl
Note:
Chemical Name: 2-Propenoic acid, 2-methyl-, 2-propenyl ester
IUPAC Name: prop-2-en-1-yl 2-methylprop-2-enoate
CAS RN: 96-05-9
Description: single chemical compound
STRUCTURE Formula: C7H10O2
Molecular Weight: 126.1531
SMILES: C=C(C)C(=O)OCC=C
Note:
Chemical Name: Oxirane, phenyl-
IUPAC Name: 2-phenyloxirane
CAS RN: 96-09-3
Description: single chemical compound
STRUCTURE Formula: C8H8O
Molecular Weight: 120.1485
SMILES: C1C(C2=CC=CC=C2)O1
Note:
Chemical Name: Aluminum, chlorodiethyl-
IUPAC Name: chloro(diethyl)aluminum
CAS RN: 96-10-6
Description: single chemical compound
STRUCTURE Formula: C4H10AlCl
Molecular Weight: 120.5567
SMILES: Cl[Al](CC)CC
Note:
Chemical Name: Propane, 1,2,3-trichloro-
IUPAC Name: 1,2,3-trichloropropane
CAS RN: 96-18-4
Description: single chemical compound
STRUCTURE Formula: C3H5Cl3
Molecular Weight: 147.4308
SMILES: ClCC(Cl)CCl
Note:
Chemical Name: 3-Pentanone
IUPAC Name: pentan-3-one
CAS RN: 96-22-0
Description: single chemical compound
STRUCTURE Formula: C5H10O
Molecular Weight: 86.1323
SMILES: CCC(=O)CC
Note:
Chemical Name: 2-Propanol, 1,3-dichloro-
IUPAC Name: 1,3-dichloropropan-2-ol
CAS RN: 96-23-1
Description: single chemical compound
STRUCTURE Formula: C3H6Cl2O
Molecular Weight: 128.9851
SMILES: OC(CCl)CCl
Note:
Chemical Name: 2-Butanone, oxime
IUPAC Name: (2E)-butan-2-one oxime
CAS RN: 96-29-7
Description: single chemical compound
STRUCTURE Formula: C4H9NO
Molecular Weight: 87.1204
SMILES: CCC(C)=NO
Note:
Chemical Name: Urea, N,N'-dimethyl-
IUPAC Name: N,N'-dimethylurea
CAS RN: 96-31-1
Description: single chemical compound
STRUCTURE Formula: C3H8N2O
Molecular Weight: 88.1084
SMILES: C(=O)(NC)NC
Note:
Chemical Name: 2-Propenoic acid, methyl ester
IUPAC Name: methyl acrylate
CAS RN: 96-33-3
Description: single chemical compound
STRUCTURE Formula: C4H6O2
Molecular Weight: 86.0892
SMILES: C=CC(=O)OC
Note:
Chemical Name: 2(3H)-Furanone, dihydro-
IUPAC Name: dihydrofuran-2(3H)-one
CAS RN: 96-48-0
Description: single chemical compound
STRUCTURE Formula: C4H6O2
Molecular Weight: 86.0892
SMILES: O=C1CCCO1
Note:
Chemical Name: 1,3-Dioxolan-2-one
IUPAC Name: 1,3-dioxolan-2-one
CAS RN: 96-49-1
Description: single chemical compound
STRUCTURE Formula: C3H4O3
Molecular Weight: 88.0621
SMILES: O=C1OCCO1
Note:
Chemical Name: Phenol, 4,4'-thiobis[2-(1,1-dimethylethyl)-5-methyl-
IUPAC Name: 4,4'-thiobis[2-(1,1-dimethylethyl)-5-methylphenol]
CAS RN: 96-69-5
Description: single chemical compound
STRUCTURE Formula: C22H30O2S
Molecular Weight: 358.5374
SMILES: CC(C1=CC(=C(C=C1O)C)SC2=CC(=C(C=C2C)O)C(C)(C)C)(C)C
Note:
Chemical Name: Phenol, 2,4-bis(1,1-dimethylethyl)-
IUPAC Name: 2,4-di-tert-butylphenol
CAS RN: 96-76-4
Description: single chemical compound
STRUCTURE Formula: C14H22O
Molecular Weight: 206.3239
SMILES: OC1=C(C(C)(C)C)C=C(C(C)(C)C)C=C1
Note:
Chemical Name: Benzene, 1-chloro-2,4-dinitro-
IUPAC Name: 1-chloro-2,4-dinitrobenzene
CAS RN: 97-00-7
Description: single chemical compound
STRUCTURE Formula: C6H3ClN2O4
Molecular Weight: 202.552
SMILES: ClC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
Note:
Chemical Name: Benzenamine, 2,4-dinitro-
IUPAC Name: 2,4-dinitroaniline
CAS RN: 97-02-9
Description: single chemical compound
STRUCTURE Formula: C6H5N3O4
Molecular Weight: 183.1216
SMILES: NC1=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1
Note:
Chemical Name: .alpha.-D-Glucopyranoside, methyl
IUPAC Name: methyl alpha-D-glucopyranoside
CAS RN: 97-30-3
Description: single chemical compound
STRUCTURE Formula: C7H14O6
Molecular Weight: 194.1825
SMILES: O[C@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)[C@H]1OC
Note: stereochem
Chemical Name: Guanidine, N,N'-bis(2-methylphenyl)-
IUPAC Name: 1,3-bis(2-methylphenyl)guanidine
CAS RN: 97-39-2
Description: single chemical compound
STRUCTURE Formula: C15H17N3
Molecular Weight: 239.3156
SMILES: N=C(NC2=C(C)C=CC=C2)NC1=CC=CC=C1C
Note: tautomers
Chemical Name: 2-Propenoic acid, 2-methyl-, ethyl ester
IUPAC Name: ethyl 2-methylacrylate
CAS RN: 97-63-2
Description: single chemical compound
STRUCTURE Formula: C6H10O2
Molecular Weight: 114.1424
SMILES: O=C(OCC)C(=C)C
Note:
Chemical Name: Butanedioic acid, methylene-
IUPAC Name: 2-methylenesuccinic acid
CAS RN: 97-65-4
Description: single chemical compound
STRUCTURE Formula: C5H6O4
Molecular Weight: 130.0987
SMILES: O=C(O)C(CC(O)=O)=C
Note:
Chemical Name: Propanoic acid, 2-methyl-, anhydride
IUPAC Name: 2-methylpropanoic anhydride
CAS RN: 97-72-3
Description: single chemical compound
STRUCTURE Formula: C8H14O3
Molecular Weight: 158.195
SMILES: O=C(OC(C(C)C)=O)C(C)C
Note:
Chemical Name: Thiodicarbonic diamide ([(H2N)C(S)]2S), tetramethyl-
IUPAC Name: N,N,N',N'-tetramethyldicarbonotrithioic diamide
CAS RN: 97-74-5
Description: single chemical compound
STRUCTURE Formula: C6H12N2S3
Molecular Weight: 208.3679
SMILES: S=C(N(C)C)SC(=S)N(C)C
Note:
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