[3-[(2-methoxyphenyl)methyl]-1,2-benzoxazol-6-yl] 4-methoxybenzenesulfonate

Systemtic Name: [3-[(2-methoxyphenyl)methyl]-1,2-benzoxazol-6-yl] 4-methoxybenzenesulfonate Openeye Name: [3-[(2-methoxyphenyl)methyl]-1,2-benzoxazol-6-yl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[(2-methoxyphenyl)methyl]-1,2-benzoxazol-6-yl] ester IUPAC Name: [3-[(2-methoxyphenyl)methyl]-1,2-benzoxazol-6-yl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid (3-o-anisylindoxazen-6-yl) ester Formula: C22H19NO6S MolecularWeight: 425.45436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=NO3)CC4=CC=CC=C4OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=NO3)CC4=CC=CC=C4OC

InChI

InChI=1S/C22H19NO6S/c1-26-16-7-10-18(11-8-16)30(24,25)29-17-9-12-19-20(23-28-22(19)14-17)13-15-5-3-4-6-21(15)27-2/h3-12,14H,13H2,1-2H3