2-methyl-5-(4-nitrophenoxy)sulfonyl-benzoic acid

Systemtic Name: 2-methyl-5-(4-nitrophenoxy)sulfonyl-benzoic acid Openeye Name: 2-methyl-5-(4-nitrophenoxy)sulfonyl-benzoic acid CAS Name: 2-methyl-5-(4-nitrophenoxy)sulfonylbenzoic acid IUPAC Name: 2-methyl-5-(4-nitrophenoxy)sulfonylbenzoic acid Traditional Name: 2-methyl-5-(4-nitrophenoxy)sulfonyl-benzoic acid Formula: C14H11NO7S MolecularWeight: 337.30464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO7S/c1-9-2-7-12(8-13(9)14(16)17)23(20,21)22-11-5-3-10(4-6-11)15(18)19/h2-8H,1H3,(H,16,17)