2-methyl-5-[4-nitro-2-(phenylmethyl)phenoxy]sulfonyl-benzoic acid

Systemtic Name: 2-methyl-5-[4-nitro-2-(phenylmethyl)phenoxy]sulfonyl-benzoic acid Openeye Name: 5-(2-benzyl-4-nitro-phenoxy)sulfonyl-2-methyl-benzoic acid CAS Name: 2-methyl-5-[4-nitro-2-(phenylmethyl)phenoxy]sulfonylbenzoic acid IUPAC Name: 5-(2-benzyl-4-nitrophenoxy)sulfonyl-2-methylbenzoic acid Traditional Name: 5-(2-benzyl-4-nitro-phenoxy)sulfonyl-2-methyl-benzoic acid Formula: C21H17NO7S MolecularWeight: 427.42718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H17NO7S/c1-14-7-9-18(13-19(14)21(23)24)30(27,28)29-20-10-8-17(22(25)26)12-16(20)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,23,24)