3-(2,3-dipentylphenoxy)propane-1-sulfonic acid

Systemtic Name: 3-(2,3-dipentylphenoxy)propane-1-sulfonic acid Openeye Name: 3-(2,3-dipentylphenoxy)propane-1-sulfonic acid CAS Name: 3-(2,3-dipentylphenoxy)-1-propanesulfonic acid IUPAC Name: 3-(2,3-dipentylphenoxy)propane-1-sulfonic acid Traditional Name: 3-(2,3-diamylphenoxy)propane-1-sulfonic acid Formula: C19H32O4S MolecularWeight: 356.51998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=CC=C1)OCCCS(=O)(=O)O)CCCCC

Isomeric SMILES

CCCCCC1=C(C(=CC=C1)OCCCS(=O)(=O)O)CCCCC

InChI

InChI=1S/C19H32O4S/c1-3-5-7-11-17-12-9-14-19(18(17)13-8-6-4-2)23-15-10-16-24(20,21)22/h9,12,14H,3-8,10-11,13,15-16H2,1-2H3,(H,20,21,22)