4-methyl-2-[1-(3-nitrophenyl)ethyl]benzenesulfonic acid

Systemtic Name: 4-methyl-2-[1-(3-nitrophenyl)ethyl]benzenesulfonic acid Openeye Name: 4-methyl-2-[1-(3-nitrophenyl)ethyl]benzenesulfonic acid CAS Name: 4-methyl-2-[1-(3-nitrophenyl)ethyl]benzenesulfonic acid IUPAC Name: 4-methyl-2-[1-(3-nitrophenyl)ethyl]benzenesulfonic acid Traditional Name: 4-methyl-2-[1-(3-nitrophenyl)ethyl]besylic acid Formula: C15H15NO5S MolecularWeight: 321.3483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO5S/c1-10-6-7-15(22(19,20)21)14(8-10)11(2)12-4-3-5-13(9-12)16(17)18/h3-9,11H,1-2H3,(H,19,20,21)