2-[(E)-2-ethoxyprop-1-enyl]-3-ethyl-5-iodanyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 2-[(E)-2-ethoxyprop-1-enyl]-3-ethyl-5-iodanyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 2-[(E)-2-ethoxyprop-1-enyl]-3-ethyl-5-iodo-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate CAS Name: 2-[(E)-2-ethoxyprop-1-enyl]-3-ethyl-5-iodo-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 2-[(E)-2-ethoxyprop-1-enyl]-3-ethyl-5-iodo-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 2-[(E)-2-ethoxyprop-1-enyl]-3-ethyl-5-iodo-1,3-benzoxazol-3-ium tosylate Formula: C21H24INO5S MolecularWeight: 529.38843

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(OC2=C1C=C(C=C2)I)C=C(C)OCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(OC2=C1C=C(C=C2)I)/C=C(\C)/OCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C14H17INO2.C7H8O3S/c1-4-16-12-9-11(15)6-7-13(12)18-14(16)8-10(3)17-5-2;1-6-2-4-7(5-3-6)11(8,9)10/h6-9H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b10-8+;