3-[4-(1,3-benzoxazol-2-yl)phenyl]prop-2-ynyl 4-methylbenzenesulfonate

Systemtic Name: 3-[4-(1,3-benzoxazol-2-yl)phenyl]prop-2-ynyl 4-methylbenzenesulfonate Openeye Name: 3-[4-(1,3-benzoxazol-2-yl)phenyl]prop-2-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[4-(1,3-benzoxazol-2-yl)phenyl]prop-2-ynyl ester IUPAC Name: 3-[4-(1,3-benzoxazol-2-yl)phenyl]prop-2-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[4-(1,3-benzoxazol-2-yl)phenyl]prop-2-ynyl ester Formula: C23H17NO4S MolecularWeight: 403.45038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC#CC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC#CC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C23H17NO4S/c1-17-8-14-20(15-9-17)29(25,26)27-16-4-5-18-10-12-19(13-11-18)23-24-21-6-2-3-7-22(21)28-23/h2-3,6-15H,16H2,1H3