4-(2,3-dibutylphenoxy)butane-1-sulfonic acid

Systemtic Name: 4-(2,3-dibutylphenoxy)butane-1-sulfonic acid Openeye Name: 4-(2,3-dibutylphenoxy)butane-1-sulfonic acid CAS Name: 4-(2,3-dibutylphenoxy)-1-butanesulfonic acid IUPAC Name: 4-(2,3-dibutylphenoxy)butane-1-sulfonic acid Traditional Name: 4-(2,3-dibutylphenoxy)butane-1-sulfonic acid Formula: C18H30O4S MolecularWeight: 342.4934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC=C1)OCCCCS(=O)(=O)O)CCCC

Isomeric SMILES

CCCCC1=C(C(=CC=C1)OCCCCS(=O)(=O)O)CCCC

InChI

InChI=1S/C18H30O4S/c1-3-5-10-16-11-9-13-18(17(16)12-6-4-2)22-14-7-8-15-23(19,20)21/h9,11,13H,3-8,10,12,14-15H2,1-2H3,(H,19,20,21)