3-(3,4-diisocyanophenyl)sulfanylpropane-1-sulfonic acid

Systemtic Name: 3-(3,4-diisocyanophenyl)sulfanylpropane-1-sulfonic acid Openeye Name: 3-(3,4-diisocyanophenyl)sulfanylpropane-1-sulfonic acid CAS Name: 3-[(3,4-diisocyanophenyl)thio]-1-propanesulfonic acid IUPAC Name: 3-(3,4-diisocyanophenyl)sulfanylpropane-1-sulfonic acid Traditional Name: 3-[(3,4-diisocyanophenyl)thio]propane-1-sulfonic acid Formula: C11H10N2O3S2 MolecularWeight: 282.3387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O3S2/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)