4-methyl-3-[(2-nitrophenyl)methyl]benzenesulfonic acid

Systemtic Name: 4-methyl-3-[(2-nitrophenyl)methyl]benzenesulfonic acid Openeye Name: 4-methyl-3-[(2-nitrophenyl)methyl]benzenesulfonic acid CAS Name: 4-methyl-3-[(2-nitrophenyl)methyl]benzenesulfonic acid IUPAC Name: 4-methyl-3-[(2-nitrophenyl)methyl]benzenesulfonic acid Traditional Name: 4-methyl-3-(2-nitrobenzyl)besylic acid Formula: C14H13NO5S MolecularWeight: 307.32172

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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)