4-(4-methyl-3-nitro-phenyl)sulfonyloxyphthalic acid

Systemtic Name: 4-(4-methyl-3-nitro-phenyl)sulfonyloxyphthalic acid Openeye Name: 4-(4-methyl-3-nitro-phenyl)sulfonyloxyphthalic acid CAS Name: 4-(4-methyl-3-nitrophenyl)sulfonyloxyphthalic acid IUPAC Name: 4-(4-methyl-3-nitrophenyl)sulfonyloxyphthalic acid Traditional Name: 4-(4-methyl-3-nitro-phenyl)sulfonyloxyphthalic acid Formula: C15H11NO9S MolecularWeight: 381.31414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

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