3-[3-butoxy-5-(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid

Systemtic Name: 3-[3-butoxy-5-(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid Openeye Name: 3-[3-butoxy-5-(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid CAS Name: 3-[3-butoxy-5-(3-sulfopropoxy)phenoxy]-1-propanesulfonic acid IUPAC Name: 3-[3-butoxy-5-(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid Traditional Name: 3-[3-butoxy-5-(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid Formula: C16H26O9S2 MolecularWeight: 426.50224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC(=C1)OCCCS(=O)(=O)O)OCCCS(=O)(=O)O

Isomeric SMILES

CCCCOC1=CC(=CC(=C1)OCCCS(=O)(=O)O)OCCCS(=O)(=O)O

InChI

InChI=1S/C16H26O9S2/c1-2-3-6-23-14-11-15(24-7-4-9-26(17,18)19)13-16(12-14)25-8-5-10-27(20,21)22/h11-13H,2-10H2,1H3,(H,17,18,19)(H,20,21,22)