[4-(4-isocyanophenyl)phenoxy]methanesulfonic acid

Systemtic Name: [4-(4-isocyanophenyl)phenoxy]methanesulfonic acid Openeye Name: [4-(4-isocyanophenyl)phenoxy]methanesulfonic acid CAS Name: [4-(4-isocyanophenyl)phenoxy]methanesulfonic acid IUPAC Name: [4-(4-isocyanophenyl)phenoxy]methanesulfonic acid Traditional Name: [4-(4-isocyanophenyl)phenoxy]methanesulfonic acid Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)C2=CC=C(C=C2)OCS(=O)(=O)O

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)C2=CC=C(C=C2)OCS(=O)(=O)O

InChI

InChI=1S/C14H11NO4S/c1-15-13-6-2-11(3-7-13)12-4-8-14(9-5-12)19-10-20(16,17)18/h2-9H,10H2,(H,16,17,18)