3-ethyl-2-ethylsulfanyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 3-ethyl-2-ethylsulfanyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 3-ethyl-2-ethylsulfanyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate CAS Name: 3-ethyl-2-(ethylthio)-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 3-ethyl-2-ethylsulfanyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 3-ethyl-2-(ethylthio)-1,3-benzoxazol-3-ium tosylate Formula: C18H21NO4S2 MolecularWeight: 379.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(OC2=CC=CC=C21)SCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(OC2=CC=CC=C21)SCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C11H14NOS.C7H8O3S/c1-3-12-9-7-5-6-8-10(9)13-11(12)14-4-2;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H,3-4H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1