5-chloranyl-1-ethyl-3-phenyl-2,1-benzoxazol-1-ium; ethyl sulfate

Systemtic Name: 5-chloranyl-1-ethyl-3-phenyl-2,1-benzoxazol-1-ium; ethyl sulfate Openeye Name: 5-chloro-1-ethyl-3-phenyl-2,1-benzoxazol-1-ium; ethyl sulfate CAS Name: 5-chloro-1-ethyl-3-phenyl-2,1-benzoxazol-1-ium; ethyl sulfate IUPAC Name: 5-chloro-1-ethyl-3-phenyl-2,1-benzoxazol-1-ium; ethyl sulfate Traditional Name: 5-chloro-1-ethyl-3-phenyl-anthranil-1-ium; ethyl sulfate Formula: C17H18ClNO5S MolecularWeight: 383.84652

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C=CC(=CC2=C(O1)C3=CC=CC=C3)Cl.CCOS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C2C=CC(=CC2=C(O1)C3=CC=CC=C3)Cl.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C15H13ClNO.C2H6O4S/c1-2-17-14-9-8-12(16)10-13(14)15(18-17)11-6-4-3-5-7-11;1-2-6-7(3,4)5/h3-10H,2H2,1H3;2H2,1H3,(H,3,4,5)/q+1;/p-1