3-hexyl-2-(2-sulfophenoxy)benzenesulfonic acid

Systemtic Name: 3-hexyl-2-(2-sulfophenoxy)benzenesulfonic acid Openeye Name: 3-hexyl-2-(2-sulfophenoxy)benzenesulfonic acid CAS Name: 3-hexyl-2-(2-sulfophenoxy)benzenesulfonic acid IUPAC Name: 3-hexyl-2-(2-sulfophenoxy)benzenesulfonic acid Traditional Name: 3-hexyl-2-(2-sulfophenoxy)besylic acid Formula: C18H22O7S2 MolecularWeight: 414.49308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=CC=C1)S(=O)(=O)O)OC2=CC=CC=C2S(=O)(=O)O

Isomeric SMILES

CCCCCCC1=C(C(=CC=C1)S(=O)(=O)O)OC2=CC=CC=C2S(=O)(=O)O

InChI

InChI=1S/C18H22O7S2/c1-2-3-4-5-9-14-10-8-13-17(27(22,23)24)18(14)25-15-11-6-7-12-16(15)26(19,20)21/h6-8,10-13H,2-5,9H2,1H3,(H,19,20,21)(H,22,23,24)