4-methyl-3-[(2-nitrophenyl)methyl]benzenesulfonate

Systemtic Name: 4-methyl-3-[(2-nitrophenyl)methyl]benzenesulfonate Openeye Name: 4-methyl-3-[(2-nitrophenyl)methyl]benzenesulfonate CAS Name: 4-methyl-3-[(2-nitrophenyl)methyl]benzenesulfonate IUPAC Name: 4-methyl-3-[(2-nitrophenyl)methyl]benzenesulfonate Traditional Name: 4-methyl-3-(2-nitrobenzyl)besylate Formula: C14H12NO5S- MolecularWeight: 306.31378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)[O-])CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)[O-])CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H13NO5S/c1-10-6-7-13(21(18,19)20)9-12(10)8-11-4-2-3-5-14(11)15(16)17/h2-7,9H,8H2,1H3,(H,18,19,20)/p-1