4-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]benzenesulfonic acid

Systemtic Name: 4-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]benzenesulfonic acid Openeye Name: 4-[(E)-3-ethoxy-3-oxo-prop-1-enyl]benzenesulfonic acid CAS Name: 4-[(E)-3-ethoxy-3-oxoprop-1-enyl]benzenesulfonic acid IUPAC Name: 4-[(E)-3-ethoxy-3-oxoprop-1-enyl]benzenesulfonic acid Traditional Name: 4-[(E)-3-ethoxy-3-keto-prop-1-enyl]besylic acid Formula: C11H12O5S MolecularWeight: 256.27498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C11H12O5S/c1-2-16-11(12)8-5-9-3-6-10(7-4-9)17(13,14)15/h3-8H,2H2,1H3,(H,13,14,15)/b8-5+