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

Systemtic Name: [3-(phenylmethyl)-1,2-benzoxazol-6-yl] 4-methoxybenzenesulfonate Openeye Name: (3-benzyl-1,2-benzoxazol-6-yl) 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-(phenylmethyl)-1,2-benzoxazol-6-yl] ester IUPAC Name: (3-benzyl-1,2-benzoxazol-6-yl) 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid (3-benzylindoxazen-6-yl) ester Formula: C21H17NO5S MolecularWeight: 395.42838

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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=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=NO3)CC4=CC=CC=C4

InChI

InChI=1S/C21H17NO5S/c1-25-16-7-10-18(11-8-16)28(23,24)27-17-9-12-19-20(22-26-21(19)14-17)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3