[3,3-dimethyl-2-(4-nitrophenoxy)-2H-1-benzofuran-5-yl] methanesulfonate

Systemtic Name: [3,3-dimethyl-2-(4-nitrophenoxy)-2H-1-benzofuran-5-yl] methanesulfonate Openeye Name: [3,3-dimethyl-2-(4-nitrophenoxy)-2H-benzofuran-5-yl] methanesulfonate CAS Name: methanesulfonic acid [3,3-dimethyl-2-(4-nitrophenoxy)-2H-benzofuran-5-yl] ester IUPAC Name: [3,3-dimethyl-2-(4-nitrophenoxy)-2H-1-benzofuran-5-yl] methanesulfonate Traditional Name: methanesulfonic acid [3,3-dimethyl-2-(4-nitrophenoxy)coumaran-5-yl] ester Formula: C17H17NO7S MolecularWeight: 379.38438

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(OC2=C1C=C(C=C2)OS(=O)(=O)C)OC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(C(OC2=C1C=C(C=C2)OS(=O)(=O)C)OC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H17NO7S/c1-17(2)14-10-13(25-26(3,21)22)8-9-15(14)24-16(17)23-12-6-4-11(5-7-12)18(19)20/h4-10,16H,1-3H3