Chemical Name: Benzene, 1,2-dimethyl-3-nitro-
IUPAC Name: 1,2-dimethyl-3-nitrobenzene
CAS RN: 83-41-0
Description: single chemical compound
STRUCTURE Formula: C8H9NO2
Molecular Weight: 151.1626
SMILES: CC1=CC=CC(=C1C)[N+]([O-])=O
Note:
Chemical Name: 1,2-Benzenedicarboxylic acid, dicyclohexyl ester
IUPAC Name: dicyclohexyl phthalate
CAS RN: 84-61-7
Description: single chemical compound
STRUCTURE Formula: C20H26O4
Molecular Weight: 330.418
SMILES: O=C(OC(CCCC1)C1)c(c(ccc2)C(=O)OC(CCCC3)C3)c2
Note:
Chemical Name: 9,10-Anthracenedione
IUPAC Name: 9,10-anthraquinone
CAS RN: 84-65-1
Description: single chemical compound
STRUCTURE Formula: C14H8O2
Molecular Weight: 208.2121
SMILES: O=C1C2=C(C=CC=C2)C(=O)C3=C1C=CC=C3
Note:
Chemical Name: 1,2-Benzenedicarboxylic acid, diethyl ester
IUPAC Name: diethyl phthalate
CAS RN: 84-66-2
Description: single chemical compound
STRUCTURE Formula: C12H14O4
Molecular Weight: 222.2372
SMILES: CCOC(=O)C1=CC=CC=C1C(=O)OCC
Note:
Chemical Name: 1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester
IUPAC Name: diisobutyl phthalate
CAS RN: 84-69-5
Description: single chemical compound
STRUCTURE Formula: C16H22O4
Molecular Weight: 278.3435
SMILES: C1(=C(C(OCC(C)C)=O)C=CC=C1)C(OCC(C)C)=O
Note:
Chemical Name: 1,2-Benzenedicarboxylic acid, dibutyl ester
IUPAC Name: dibutyl phthalate
CAS RN: 84-74-2
Description: single chemical compound
STRUCTURE Formula: C16H22O4
Molecular Weight: 278.3435
SMILES: C1=CC=C(C(=O)OCCCC)C(=C1)C(=O)OCCCC
Note:
Chemical Name: 1,2-Benzenedicarboxylic acid, didecyl ester
IUPAC Name: didecyl phthalate
CAS RN: 84-77-5
Description: single chemical compound
STRUCTURE Formula: C28H46O4
Molecular Weight: 446.6624
SMILES: O=C(OCCCCCCCCCC)C1=CC=CC=C1C(OCCCCCCCCCC)=O
Note:
Chemical Name: 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-
IUPAC Name: 3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CAS RN: 85-40-5
Description: single chemical compound
STRUCTURE Formula: C8H9NO2
Molecular Weight: 151.1626
SMILES: O=C1C2C(CC=CC2)C(N1)=O
Note:
Chemical Name: 1H-Isoindole-1,3(2H)-dione
IUPAC Name: 1H-isoindole-1,3(2H)-dione
CAS RN: 85-41-6
Description: single chemical compound
STRUCTURE Formula: C8H5NO2
Molecular Weight: 147.1308
SMILES: O=C1C2=C(C=CC=C2)C(N1)=O
Note:
Chemical Name: 1,3-Isobenzofurandione, hexahydro-
IUPAC Name: hexahydro-2-benzofuran-1,3-dione
CAS RN: 85-42-7
Description: single chemical compound
STRUCTURE Formula: C8H10O3
Molecular Weight: 154.1632
SMILES: O=C1C2C(CCCC2)C(O1)=O
Note:
Chemical Name: 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-
IUPAC Name: 3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
CAS RN: 85-43-8
Description: single chemical compound
STRUCTURE Formula: C8H8O3
Molecular Weight: 152.1473
SMILES: O=C1C2C(CC=CC2)C(O1)=O
Note:
Chemical Name: 1,3-Isobenzofurandione
IUPAC Name: 2-benzofuran-1,3-dione
CAS RN: 85-44-9
Description: single chemical compound
STRUCTURE Formula: C8H4O3
Molecular Weight: 148.1156
SMILES: O=C1C2=C(C=CC=C2)C(=O)O1
Note:
Chemical Name: 1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester
IUPAC Name: benzyl butyl phthalate
CAS RN: 85-68-7
Description: single chemical compound
STRUCTURE Formula: C19H20O4
Molecular Weight: 312.3597
SMILES: C1(=C(C=CC=C1)C(OCCCC)=O)C(OCC2=CC=CC=C2)=O
Note:
Chemical Name: 1,2-Benzenedicarboxylic acid, butyl 2-ethylhexyl ester
IUPAC Name: butyl 2-ethylhexyl phthalate
CAS RN: 85-69-8
Description: single chemical compound
STRUCTURE Formula: C20H30O4
Molecular Weight: 334.4498
SMILES: O=C(OCC(CC)CCCC)C1=CC=CC=C1C(OCCCC)=O
Note:
Chemical Name: 2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-
IUPAC Name: 7-amino-4-hydroxynaphthalene-2-sulfonic acid
CAS RN: 87-02-5
Description: single chemical compound
STRUCTURE Formula: C10H9NO4S
Molecular Weight: 239.2478
SMILES: O=S(C2=CC1=C(C(O)=C2)C=CC(N)=C1)(O)=O
Note:
Chemical Name: 2-Butenoic acid, 2,3-dichloro-4-oxo-, (2Z)-
IUPAC Name: (2Z)-2,3-dichloro-4-oxobut-2-enoic acid
CAS RN: 87-56-9
Description: single chemical compound
STRUCTURE Formula: C4H2Cl2O3
Molecular Weight: 168.9629
SMILES: O=CC(Cl)=C(Cl)C(O)=O
Note: stereochem
Chemical Name: Benzene, 1,2,3-trichloro-
IUPAC Name: 1,2,3-trichlorobenzene
CAS RN: 87-61-6
Description: single chemical compound
STRUCTURE Formula: C6H3Cl3
Molecular Weight: 181.447
SMILES: Clc1c(Cl)cccc1Cl
Note:
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