[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-2-(1,3-benzoxazol-2-yl)vinyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-2-(1,3-benzoxazol-2-yl)vinyl]-2-methoxy-phenyl] ester Formula: C23H19NO5S MolecularWeight: 421.46566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=CC3=NC4=CC=CC=C4O3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/C3=NC4=CC=CC=C4O3)OC

InChI

InChI=1S/C23H19NO5S/c1-16-7-11-18(12-8-16)30(25,26)29-21-13-9-17(15-22(21)27-2)10-14-23-24-19-5-3-4-6-20(19)28-23/h3-15H,1-2H3/b14-10+