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

Systemtic Name: [3-[(3-methoxyphenoxy)methyl]-1,2-benzoxazol-6-yl] 4-methoxybenzenesulfonate Openeye Name: [3-[(3-methoxyphenoxy)methyl]-1,2-benzoxazol-6-yl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[(3-methoxyphenoxy)methyl]-1,2-benzoxazol-6-yl] ester IUPAC Name: [3-[(3-methoxyphenoxy)methyl]-1,2-benzoxazol-6-yl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[(3-methoxyphenoxy)methyl]indoxazen-6-yl] ester Formula: C22H19NO7S MolecularWeight: 441.45376

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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)COC4=CC=CC(=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=NO3)COC4=CC=CC(=C4)OC

InChI

InChI=1S/C22H19NO7S/c1-26-15-6-9-19(10-7-15)31(24,25)30-18-8-11-20-21(23-29-22(20)13-18)14-28-17-5-3-4-16(12-17)27-2/h3-13H,14H2,1-2H3