sodium 3-(3,4-diisocyanophenyl)sulfanylpropane-1-sulfonate

Systemtic Name: sodium 3-(3,4-diisocyanophenyl)sulfanylpropane-1-sulfonate Openeye Name: sodium 3-(3,4-diisocyanophenyl)sulfanylpropane-1-sulfonate CAS Name: sodium 3-[(3,4-diisocyanophenyl)thio]-1-propanesulfonate IUPAC Name: sodium 3-(3,4-diisocyanophenyl)sulfanylpropane-1-sulfonate Traditional Name: sodium 3-[(3,4-diisocyanophenyl)thio]propane-1-sulfonate Formula: C11H9N2NaO3S2 MolecularWeight: 304.32053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=C(C=C(C=C1)SCCCS(=O)(=O)[O-])[N+]#[C-].[Na+]

Isomeric SMILES

[C-]#[N+]C1=C(C=C(C=C1)SCCCS(=O)(=O)[O-])[N+]#[C-].[Na+]

InChI

InChI=1S/C11H10N2O3S2.Na/c1-12-10-5-4-9(8-11(10)13-2)17-6-3-7-18(14,15)16;/h4-5,8H,3,6-7H2,(H,14,15,16);/q;+1/p-1