disodium (1-phenoxy-1-phenyl-3-sulfonatooxy-propan-2-yl) sulfate

Systemtic Name: disodium (1-phenoxy-1-phenyl-3-sulfonatooxy-propan-2-yl) sulfate Openeye Name: disodium [2-phenoxy-2-phenyl-1-(sulfonatooxymethyl)ethyl] sulfate CAS Name: disodium (1-phenoxy-1-phenyl-3-sulfonatooxypropan-2-yl) sulfate IUPAC Name: disodium (1-phenoxy-1-phenyl-3-sulfonatooxypropan-2-yl) sulfate Traditional Name: disodium [2-phenoxy-2-phenyl-1-(sulfatomethyl)ethyl] sulfate Formula: C15H14Na2O9S2 MolecularWeight: 448.3758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(COS(=O)(=O)[O-])OS(=O)(=O)[O-])OC2=CC=CC=C2.[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(C(COS(=O)(=O)[O-])OS(=O)(=O)[O-])OC2=CC=CC=C2.[Na+].[Na+]

InChI

InChI=1S/C15H16O9S2.2Na/c16-25(17,18)22-11-14(24-26(19,20)21)15(12-7-3-1-4-8-12)23-13-9-5-2-6-10-13;;/h1-10,14-15H,11H2,(H,16,17,18)(H,19,20,21);;/q;2*+1/p-2