(4-methyl-2-nitro-phenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate

Systemtic Name: (4-methyl-2-nitro-phenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate Openeye Name: (4-methyl-2-nitro-phenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid (4-methyl-2-nitrophenyl) ester IUPAC Name: (4-methyl-2-nitrophenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid (4-methyl-2-nitro-phenyl) ester Formula: C15H13NO7S MolecularWeight: 351.33122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C15H13NO7S/c1-10-2-4-13(12(8-10)16(17)18)23-24(19,20)11-3-5-14-15(9-11)22-7-6-21-14/h2-5,8-9H,6-7H2,1H3