disodium 3-[4-[4-(3-sulfonatopropoxy)phenyl]sulfonylphenoxy]propane-1-sulfonate

Systemtic Name: disodium 3-[4-[4-(3-sulfonatopropoxy)phenyl]sulfonylphenoxy]propane-1-sulfonate Openeye Name: disodium 3-[4-[4-(3-sulfonatopropoxy)phenyl]sulfonylphenoxy]propane-1-sulfonate CAS Name: disodium 3-[4-[4-(3-sulfonatopropoxy)phenyl]sulfonylphenoxy]-1-propanesulfonate IUPAC Name: disodium 3-[4-[4-(3-sulfonatopropoxy)phenyl]sulfonylphenoxy]propane-1-sulfonate Traditional Name: disodium 3-[4-[4-(3-sulfonatopropoxy)phenyl]sulfonylphenoxy]propane-1-sulfonate Formula: C18H20Na2O10S3 MolecularWeight: 538.51994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCCS(=O)(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)OCCCS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1OCCCS(=O)(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)OCCCS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H22O10S3.2Na/c19-29(20,21)13-1-11-27-15-3-7-17(8-4-15)31(25,26)18-9-5-16(6-10-18)28-12-2-14-30(22,23)24;;/h3-10H,1-2,11-14H2,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2