4-methyl-2-[1-(2-nitrophenyl)pentan-2-yl]benzenesulfonate

Systemtic Name: 4-methyl-2-[1-(2-nitrophenyl)pentan-2-yl]benzenesulfonate Openeye Name: 4-methyl-2-[1-[(2-nitrophenyl)methyl]butyl]benzenesulfonate CAS Name: 4-methyl-2-[1-(2-nitrophenyl)pentan-2-yl]benzenesulfonate IUPAC Name: 4-methyl-2-[1-(2-nitrophenyl)pentan-2-yl]benzenesulfonate Traditional Name: 4-methyl-2-[1-(2-nitrobenzyl)butyl]besylate Formula: C18H20NO5S- MolecularWeight: 362.4201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO5S/c1-3-6-14(12-15-7-4-5-8-17(15)19(20)21)16-11-13(2)9-10-18(16)25(22,23)24/h4-5,7-11,14H,3,6,12H2,1-2H3,(H,22,23,24)/p-1