5-(2-ethylsulfonyloxy-5-methyl-phenyl)-5-phenyl-pentane-2-sulfonic acid

Systemtic Name: 5-(2-ethylsulfonyloxy-5-methyl-phenyl)-5-phenyl-pentane-2-sulfonic acid Openeye Name: 5-(2-ethylsulfonyloxy-5-methyl-phenyl)-5-phenyl-pentane-2-sulfonic acid CAS Name: 5-(2-ethylsulfonyloxy-5-methylphenyl)-5-phenyl-2-pentanesulfonic acid IUPAC Name: 5-(2-ethylsulfonyloxy-5-methylphenyl)-5-phenylpentane-2-sulfonic acid Traditional Name: 5-(2-esyloxy-5-methyl-phenyl)-5-phenyl-pentane-2-sulfonic acid Formula: C20H26O6S2 MolecularWeight: 426.54684

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=C(C=C1)C)C(CCC(C)S(=O)(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=C(C=C1)C)C(CCC(C)S(=O)(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C20H26O6S2/c1-4-27(21,22)26-20-13-10-15(2)14-19(20)18(17-8-6-5-7-9-17)12-11-16(3)28(23,24)25/h5-10,13-14,16,18H,4,11-12H2,1-3H3,(H,23,24,25)