4-(4-methyl-3-nitro-phenoxy)sulfonylphthalic acid

Systemtic Name: 4-(4-methyl-3-nitro-phenoxy)sulfonylphthalic acid Openeye Name: 4-(4-methyl-3-nitro-phenoxy)sulfonylphthalic acid CAS Name: 4-(4-methyl-3-nitrophenoxy)sulfonylphthalic acid IUPAC Name: 4-(4-methyl-3-nitrophenoxy)sulfonylphthalic acid Traditional Name: 4-(4-methyl-3-nitro-phenoxy)sulfonylphthalic acid Formula: C15H11NO9S MolecularWeight: 381.31414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11NO9S/c1-8-2-3-9(6-13(8)16(21)22)25-26(23,24)10-4-5-11(14(17)18)12(7-10)15(19)20/h2-7H,1H3,(H,17,18)(H,19,20)