Chemical Name: Phenol, 2,4-dimethyl-
IUPAC Name: 2,4-dimethylphenol
CAS RN: 105-67-9
Description: single chemical compound
STRUCTURE Formula: C8H10O
Molecular Weight: 122.1644
SMILES: OC1=C(C)C=C(C)C=C1
Note:
Chemical Name: 2-Butenedioic acid (2Z)-, dibutyl ester
IUPAC Name: dibutyl (2Z)-but-2-enedioate
CAS RN: 105-76-0
Description: single chemical compound
STRUCTURE Formula: C12H20O4
Molecular Weight: 228.2848
SMILES: O=C(OCCCC)/C=CC(OCCCC)=O
Note: stereochem
Chemical Name: Octadecanoic acid, 12-hydroxy-
IUPAC Name: 12-hydroxyoctadecanoic acid
CAS RN: 106-14-9
Description: single chemical compound
STRUCTURE Formula: C18H36O3
Molecular Weight: 300.4766
SMILES: O=C(O)CCCCCCCCCCC(O)CCCCCC
Note:
Chemical Name: 6-Octen-1-ol, 3,7-dimethyl-
IUPAC Name: 3,7-dimethyloct-6-en-1-ol
CAS RN: 106-22-9
Description: single chemical compound
STRUCTURE Formula: C10H20O
Molecular Weight: 156.2652
SMILES: OCCC(C)CC/C=C(C)/C
Note: mixture of 3R [1117-61-9], 3S [7540-51-4] isomers, structure shown without stereochem
Chemical Name: 2,6-Octadien-1-ol, 3,7-dimethyl-, (2E)-
IUPAC Name: (2E)-3,7-dimethylocta-2,6-dien-1-ol
CAS RN: 106-24-1
Description: single chemical compound
STRUCTURE Formula: C10H18O
Molecular Weight: 154.2493
SMILES: OC/C=C(C)/CC/C=C(C)/C
Note: stereochem
Chemical Name: 2,6-Octadien-1-ol, 3,7-dimethyl-, (2Z)-
IUPAC Name: (2Z)-3,7-dimethylocta-2,6-dien-1-ol
CAS RN: 106-25-2
Description: single chemical compound
STRUCTURE Formula: C10H18O
Molecular Weight: 154.2493
SMILES: OCC=C(C)/CC/C=C(C)/C
Note: stereochem
Chemical Name: Butanoic acid, anhydride
IUPAC Name: butanoic anhydride
CAS RN: 106-31-0
Description: single chemical compound
STRUCTURE Formula: C8H14O3
Molecular Weight: 158.195
SMILES: O=C(OC(CCC)=O)CCC
Note:
Chemical Name: Benzene, 1,4-dimethyl-
IUPAC Name: 1,4-dimethylbenzene
CAS RN: 106-42-3
Description: single chemical compound
STRUCTURE Formula: C8H10
Molecular Weight: 106.165
SMILES: CC1=CC=C(C)C=C1
Note:
Chemical Name: Benzene, 1-chloro-4-methyl-
IUPAC Name: 1-chloro-4-methylbenzene
CAS RN: 106-43-4
Description: single chemical compound
STRUCTURE Formula: C7H7Cl
Molecular Weight: 126.5835
SMILES: Cc1ccc(Cl)cc1
Note:
Chemical Name: Phenol, 4-methyl-
IUPAC Name: 4-methylphenol
CAS RN: 106-44-5
Description: single chemical compound
STRUCTURE Formula: C7H8O
Molecular Weight: 108.1378
SMILES: OC1=CC=C(C)C=C1
Note:
Chemical Name: Benzene, 1,4-dichloro-
IUPAC Name: 1,4-dichlorobenzene
CAS RN: 106-46-7
Description: single chemical compound
STRUCTURE Formula: C6H4Cl2
Molecular Weight: 147.002
SMILES: ClC1=CC=C(C=C1)Cl
Note:
Chemical Name: Benzenamine, 4-chloro-
IUPAC Name: 4-chloroaniline
CAS RN: 106-47-8
Description: single chemical compound
STRUCTURE Formula: C6H6ClN
Molecular Weight: 127.5715
SMILES: NC1=CC=C(C=C1)Cl
Note:
Chemical Name: Benzenamine, 4-methyl-
IUPAC Name: 4-methylaniline
CAS RN: 106-49-0
Description: single chemical compound
STRUCTURE Formula: C7H9N
Molecular Weight: 107.1531
SMILES: NC1=CC=C(C)C=C1
Note:
Chemical Name: 1,4-Benzenediamine
IUPAC Name: benzene-1,4-diamine
CAS RN: 106-50-3
Description: single chemical compound
STRUCTURE Formula: C6H8N2
Molecular Weight: 108.1411
SMILES: NC1=CC=C(C=C1)N
Note:
Chemical Name: 2-Propenoic acid, 2-methylpropyl ester
IUPAC Name: isobutyl acrylate
CAS RN: 106-63-8
Description: single chemical compound
STRUCTURE Formula: C7H12O2
Molecular Weight: 128.169
SMILES: C=CC(=O)OCC(C)C
Note:
Chemical Name: Butanedioic acid, dimethyl ester
IUPAC Name: dimethyl succinate
CAS RN: 106-65-0
Description: single chemical compound
STRUCTURE Formula: C6H10O4
Molecular Weight: 146.1412
SMILES: C(=O)(OC)CCC(=O)OC
Note:
Chemical Name: Carbonochloridic acid, oxydi-2,1-ethanediyl ester
IUPAC Name: oxydiethane-2,1-diyl dichlorocarbonate
CAS RN: 106-75-2
Description: single chemical compound
STRUCTURE Formula: C6H8Cl2O5
Molecular Weight: 231.0307
SMILES: ClC(OCCOCCOC(Cl)=O)=O
Note:
Chemical Name: Decanedioic acid, dimethyl ester
IUPAC Name: dimethyl sebacate
CAS RN: 106-79-6
Description: single chemical compound
STRUCTURE Formula: C12H22O4
Molecular Weight: 230.3007
SMILES: O=C(OC)CCCCCCCCC(OC)=O
Note:
Chemical Name: Oxirane, ethyl-
IUPAC Name: 2-ethyloxirane
CAS RN: 106-88-7
Description: single chemical compound
STRUCTURE Formula: C4H8O
Molecular Weight: 72.1057
SMILES: CCC1CO1
Note:
Chemical Name: Oxirane, (chloromethyl)-
IUPAC Name: 2-(chloromethyl)oxirane
CAS RN: 106-89-8
Description: single chemical compound
STRUCTURE Formula: C3H5ClO
Molecular Weight: 92.5242
SMILES: ClCC1CO1
Note:
Chemical Name: Oxirane, [(2-propenyloxy)methyl]-
IUPAC Name: 2-[(allyloxy)methyl]oxirane
CAS RN: 106-92-3
Description: single chemical compound
STRUCTURE Formula: C6H10O2
Molecular Weight: 114.1424
SMILES: C=CCOCC1CO1
Note:
Chemical Name: Ethane, 1,2-dibromo-
IUPAC Name: 1,2-dibromoethane
CAS RN: 106-93-4
Description: single chemical compound
STRUCTURE Formula: C2H4Br2
Molecular Weight: 187.8612
SMILES: BrCCBr
Note:
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