ethanesulfonate; 3-ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium

Systemtic Name: ethanesulfonate; 3-ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium Openeye Name: ethanesulfonate; 3-ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium CAS Name: ethanesulfonate; 3-ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium IUPAC Name: ethanesulfonate; 3-ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium Traditional Name: 3-ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium esylate Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(OC2=C1C=C(C=C2)C3=CC=CC=C3)C.CCS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(OC2=C1C=C(C=C2)C3=CC=CC=C3)C.CCS(=O)(=O)[O-]

InChI

InChI=1S/C16H16NO.C2H6O3S/c1-3-17-12(2)18-16-10-9-14(11-15(16)17)13-7-5-4-6-8-13;1-2-6(3,4)5/h4-11H,3H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1