2-methyl-3-(oxiran-2-yl)-4-pentyl-benzenesulfonic acid

Systemtic Name: 2-methyl-3-(oxiran-2-yl)-4-pentyl-benzenesulfonic acid Openeye Name: 2-methyl-3-(oxiran-2-yl)-4-pentyl-benzenesulfonic acid CAS Name: 2-methyl-3-(2-oxiranyl)-4-pentylbenzenesulfonic acid IUPAC Name: 2-methyl-3-(oxiran-2-yl)-4-pentylbenzenesulfonic acid Traditional Name: 4-amyl-2-methyl-3-(oxiran-2-yl)besylic acid Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)S(=O)(=O)O)C)C2CO2

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)S(=O)(=O)O)C)C2CO2

InChI

InChI=1S/C14H20O4S/c1-3-4-5-6-11-7-8-13(19(15,16)17)10(2)14(11)12-9-18-12/h7-8,12H,3-6,9H2,1-2H3,(H,15,16,17)