disodium 3-[4-(3-sulfonatooxypropyl)phenyl]propyl sulfate

Systemtic Name: disodium 3-[4-(3-sulfonatooxypropyl)phenyl]propyl sulfate Openeye Name: disodium 3-[4-(3-sulfonatooxypropyl)phenyl]propyl sulfate CAS Name: disodium 3-[4-(3-sulfonatooxypropyl)phenyl]propyl sulfate IUPAC Name: disodium 3-[4-(3-sulfonatooxypropyl)phenyl]propyl sulfate Traditional Name: disodium 3-[4-(3-sulfatopropyl)phenyl]propyl sulfate Formula: C12H16Na2O8S2 MolecularWeight: 398.36018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCOS(=O)(=O)[O-])CCCOS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1CCCOS(=O)(=O)[O-])CCCOS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C12H18O8S2.2Na/c13-21(14,15)19-9-1-3-11-5-7-12(8-6-11)4-2-10-20-22(16,17)18;;/h5-8H,1-4,9-10H2,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2