2,2-dimethyl-7-(4-methylsulfonyl-2-nitro-phenoxy)-3H-1-benzofuran

Systemtic Name: 2,2-dimethyl-7-(4-methylsulfonyl-2-nitro-phenoxy)-3H-1-benzofuran Openeye Name: 2,2-dimethyl-7-(4-methylsulfonyl-2-nitro-phenoxy)-3H-benzofuran CAS Name: 2,2-dimethyl-7-(4-methylsulfonyl-2-nitrophenoxy)-3H-benzofuran IUPAC Name: 2,2-dimethyl-7-(4-methylsulfonyl-2-nitrophenoxy)-3H-1-benzofuran Traditional Name: 7-(4-mesyl-2-nitro-phenoxy)-2,2-dimethyl-coumaran Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H17NO6S/c1-17(2)10-11-5-4-6-15(16(11)24-17)23-14-8-7-12(25(3,21)22)9-13(14)18(19)20/h4-9H,10H2,1-3H3