(1E)-3-oxidanylidene-1-(phenylmethylidene)-2-benzofuran-5-sulfonic acid

Systemtic Name: (1E)-3-oxidanylidene-1-(phenylmethylidene)-2-benzofuran-5-sulfonic acid Openeye Name: (1E)-1-benzylidene-3-oxo-isobenzofuran-5-sulfonic acid CAS Name: (1E)-3-oxo-1-(phenylmethylene)-5-isobenzofuransulfonic acid IUPAC Name: (1E)-1-benzylidene-3-oxo-2-benzofuran-5-sulfonic acid Traditional Name: (1E)-1-benzal-3-keto-phthalan-5-sulfonic acid Formula: C15H10O5S MolecularWeight: 302.3019

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C2C3=C(C=C(C=C3)S(=O)(=O)O)C(=O)O2

Isomeric SMILES

C1=CC=C(C=C1)/C=C/2\C3=C(C=C(C=C3)S(=O)(=O)O)C(=O)O2

InChI

InChI=1S/C15H10O5S/c16-15-13-9-11(21(17,18)19)6-7-12(13)14(20-15)8-10-4-2-1-3-5-10/h1-9H,(H,17,18,19)/b14-8+