5,7-bis(chloranyl)-3-ethyl-2,6-dimethyl-2H-1,3-benzoxazole; 4-methylbenzenesulfonic acid

Systemtic Name: 5,7-bis(chloranyl)-3-ethyl-2,6-dimethyl-2H-1,3-benzoxazole; 4-methylbenzenesulfonic acid Openeye Name: 5,7-dichloro-3-ethyl-2,6-dimethyl-2H-1,3-benzoxazole; 4-methylbenzenesulfonic acid CAS Name: 5,7-dichloro-3-ethyl-2,6-dimethyl-2H-1,3-benzoxazole; 4-methylbenzenesulfonic acid IUPAC Name: 5,7-dichloro-3-ethyl-2,6-dimethyl-2H-1,3-benzoxazole; 4-methylbenzenesulfonic acid Traditional Name: 5,7-dichloro-3-ethyl-2,6-dimethyl-2H-1,3-benzoxazole; tosylic acid Formula: C18H21Cl2NO4S MolecularWeight: 418.33464

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(OC2=C(C(=C(C=C21)Cl)C)Cl)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCN1C(OC2=C(C(=C(C=C21)Cl)C)Cl)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C11H13Cl2NO.C7H8O3S/c1-4-14-7(3)15-11-9(14)5-8(12)6(2)10(11)13;1-6-2-4-7(5-3-6)11(8,9)10/h5,7H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)