Chemical Name: Benzene, 1-methyl-2,4-dinitro-
IUPAC Name: 1-methyl-2,4-dinitrobenzene
CAS RN: 121-14-2
Description: single chemical compound
STRUCTURE Formula: C7H6N2O4
Molecular Weight: 182.1335
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
Note:
Chemical Name: Benzaldehyde, 4-hydroxy-3-methoxy-
IUPAC Name: 4-hydroxy-3-methoxybenzaldehyde
CAS RN: 121-33-5
Description: single chemical compound
STRUCTURE Formula: C8H8O3
Molecular Weight: 152.1473
SMILES: C1(C=O)=CC(OC)=C(O)C=C1
Note:
Chemical Name: Ethanamine, N,N-diethyl-
IUPAC Name: N,N-diethylethanamine
CAS RN: 121-44-8
Description: single chemical compound
STRUCTURE Formula: C6H15N
Molecular Weight: 101.19
SMILES: CCN(CC)CC
Note:
Chemical Name: Phosphorous acid, trimethyl ester
IUPAC Name: trimethyl phosphite
CAS RN: 121-45-9
Description: single chemical compound
STRUCTURE Formula: C3H9O3P
Molecular Weight: 124.0755
SMILES: COP(OC)OC
Note:
Chemical Name: Benzenesulfonic acid, 4-amino-
IUPAC Name: 4-aminobenzenesulfonic acid
CAS RN: 121-57-3
Description: single chemical compound
STRUCTURE Formula: C6H7NO3S
Molecular Weight: 173.1897
SMILES: O=S(=O)(O)c(ccc(N)c1)c1
Note:
Chemical Name: Benzenesulfonyl chloride, 4-(acetylamino)-
IUPAC Name: 4-(acetylamino)benzenesulfonyl chloride
CAS RN: 121-60-8
Description: single chemical compound
STRUCTURE Formula: C8H8ClNO3S
Molecular Weight: 233.672
SMILES: ClS(C1=CC=C(NC(C)=O)C=C1)(=O)=O
Note:
Chemical Name: Benzenamine, N,N-dimethyl-
IUPAC Name: N,N-dimethylaniline
CAS RN: 121-69-7
Description: single chemical compound
STRUCTURE Formula: C8H11N
Molecular Weight: 121.1796
SMILES: CN(C1=CC=CC=C1)C
Note:
Chemical Name: 1,3,5-Triazine, hexahydro-1,3,5-trinitro-
IUPAC Name: 1,3,5-trinitro-1,3,5-triazinane
CAS RN: 121-82-4
Description: single chemical compound
STRUCTURE Formula: C3H6N6O6
Molecular Weight: 222.1163
SMILES: O=[N+]([O-])N1CN(CN(C1)[N+]([O-])=O)[N+]([O-])=O
Note:
Chemical Name: Benzene, 2-chloro-1-methyl-4-nitro-
IUPAC Name: 2-chloro-1-methyl-4-nitrobenzene
CAS RN: 121-86-8
Description: single chemical compound
STRUCTURE Formula: C7H6ClNO2
Molecular Weight: 171.581
SMILES: ClC1=CC([N+]([O-])=O)=CC=C1C
Note:
Chemical Name: 1,3-Benzenedicarboxylic acid
IUPAC Name: isophthalic acid
CAS RN: 121-91-5
Description: single chemical compound
STRUCTURE Formula: C8H6O4
Molecular Weight: 166.1308
SMILES: OC(C1=CC(C(O)=O)=CC=C1)=O
Note:
Chemical Name: Benzenemethanaminium, N,N-dimethyl-N-octadecyl-, chloride
IUPAC Name: N-benzyl-N,N-dimethyloctadecan-1-aminium chloride
CAS RN: 122-19-0
Description: single chemical compound
STRUCTURE Formula: C27H50ClN
Molecular Weight: 424.1456
SMILES: [Cl-].C[N+](C)(Cc1ccccc1)CCCCCCCCCCCCCCCCCC
Note: ammonium, parent [37612-69-4]
Chemical Name: 2-Propanol, 1,1',1''-nitrilotris-
IUPAC Name: 1,1',1''-nitrilotripropan-2-ol
CAS RN: 122-20-3
Description: single chemical compound
STRUCTURE Formula: C9H21NO3
Molecular Weight: 191.2679
SMILES: CC(CN(CC(C)O)CC(C)O)O
Note:
Chemical Name: 9-Octadecenoic acid (9Z)-, 1,2,3-propanetriyl ester
IUPAC Name: propane-1,2,3-triyl (9Z,9'Z,9''Z)tris-octadec-9-enoate
CAS RN: 122-32-7
Description: single chemical compound
STRUCTURE Formula: C57H104O6
Molecular Weight: 885.4321
SMILES: O=C(CCCCCCC/C=CCCCCCCCC)OCC(OC(CCCCCCC/C=CCCCCCCCC)=O)COC(CCCCCCC/C=CCCCCCCCC)=O
Note: stereochem
Chemical Name: 1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-diethyl-
IUPAC Name: 6-chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine
CAS RN: 122-34-9
Description: single chemical compound
STRUCTURE Formula: C7H12ClN5
Molecular Weight: 201.6567
SMILES: ClC1=NC(=NC(=N1)NCC)NCC
Note:
Chemical Name: Benzenamine, N-phenyl-
IUPAC Name: N-phenylaniline
CAS RN: 122-39-4
Description: single chemical compound
STRUCTURE Formula: C12H11N
Molecular Weight: 169.2224
SMILES: C1=CC=CC=C1NC2=CC=CC=C2
Note:
Chemical Name: Phosphorous acid, triethyl ester
IUPAC Name: triethyl phosphite
CAS RN: 122-52-1
Description: single chemical compound
STRUCTURE Formula: C6H15O3P
Molecular Weight: 166.1553
SMILES: CCOP(OCC)OCC
Note:
Chemical Name: Decanedioic acid, bis(2-ethylhexyl) ester
IUPAC Name: Bis(2-ethylhexyl) decanedioate
CAS RN: 122-62-3
Description: single chemical compound
STRUCTURE Formula: C26H50O4
Molecular Weight: 426.6728
SMILES: O=C(OCC(CCCC)CC)CCCCCCCCC(=O)OCC(CCCC)CC
Note:
Chemical Name: Ethanol, 2-phenoxy-
IUPAC Name: 2-phenoxyethanol
CAS RN: 122-99-6
Description: single chemical compound
STRUCTURE Formula: C8H10O2
Molecular Weight: 138.1638
SMILES: C1=CC=CC=C1OCCO
Note:
Chemical Name: Benzene, dodecyl-
IUPAC Name: dodecylbenzene
CAS RN: 123-01-3
Description: single chemical compound
STRUCTURE Formula: C18H30
Molecular Weight: 246.4308
SMILES: CCCCCCCCCCCCC1=CC=CC=C1
Note:
Chemical Name: Hexanal, 2-ethyl-
IUPAC Name: 2-ethylhexanal
CAS RN: 123-05-7
Description: single chemical compound
STRUCTURE Formula: C8H16O
Molecular Weight: 128.212
SMILES: C(CC)(C=O)CCCC
Note:
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