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

Systemtic Name: 4-methyl-2-[1-(2-nitrophenyl)pentan-2-yl]benzenesulfonic acid Openeye Name: 4-methyl-2-[1-[(2-nitrophenyl)methyl]butyl]benzenesulfonic acid CAS Name: 4-methyl-2-[1-(2-nitrophenyl)pentan-2-yl]benzenesulfonic acid IUPAC Name: 4-methyl-2-[1-(2-nitrophenyl)pentan-2-yl]benzenesulfonic acid Traditional Name: 4-methyl-2-[1-(2-nitrobenzyl)butyl]besylic acid Formula: C18H21NO5S MolecularWeight: 363.42804

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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)