2-octyl-3-phenoxy-oxirane-2-sulfonic acid

Systemtic Name: 2-octyl-3-phenoxy-oxirane-2-sulfonic acid Openeye Name: 2-octyl-3-phenoxy-oxirane-2-sulfonic acid CAS Name: 2-octyl-3-phenoxy-2-oxiranesulfonic acid IUPAC Name: 2-octyl-3-phenoxyoxirane-2-sulfonic acid Traditional Name: 2-octyl-3-phenoxy-oxirane-2-sulfonic acid Formula: C16H24O5S MolecularWeight: 328.42376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C(O1)OC2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCC1(C(O1)OC2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C16H24O5S/c1-2-3-4-5-6-10-13-16(22(17,18)19)15(21-16)20-14-11-8-7-9-12-14/h7-9,11-12,15H,2-6,10,13H2,1H3,(H,17,18,19)