3-[2-[2-(3-sulfopropoxy)phenyl]phenoxy]propane-1-sulfonic acid

Systemtic Name: 3-[2-[2-(3-sulfopropoxy)phenyl]phenoxy]propane-1-sulfonic acid Openeye Name: 3-[2-[2-(3-sulfopropoxy)phenyl]phenoxy]propane-1-sulfonic acid CAS Name: 3-[2-[2-(3-sulfopropoxy)phenyl]phenoxy]-1-propanesulfonic acid IUPAC Name: 3-[2-[2-(3-sulfopropoxy)phenyl]phenoxy]propane-1-sulfonic acid Traditional Name: 3-[2-[2-(3-sulfopropoxy)phenyl]phenoxy]propane-1-sulfonic acid Formula: C18H22O8S2 MolecularWeight: 430.49248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=CC=C2OCCCS(=O)(=O)O)OCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=CC=C2OCCCS(=O)(=O)O)OCCCS(=O)(=O)O

InChI

InChI=1S/C18H22O8S2/c19-27(20,21)13-5-11-25-17-9-3-1-7-15(17)16-8-2-4-10-18(16)26-12-6-14-28(22,23)24/h1-4,7-10H,5-6,11-14H2,(H,19,20,21)(H,22,23,24)