2-methoxy-5-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]benzenesulfonic acid

Systemtic Name: 2-methoxy-5-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]benzenesulfonic acid Openeye Name: 2-methoxy-5-[(E)-3-oxo-3-phenyl-prop-1-enyl]benzenesulfonic acid CAS Name: 2-methoxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]benzenesulfonic acid IUPAC Name: 2-methoxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]benzenesulfonic acid Traditional Name: 5-[(E)-3-keto-3-phenyl-prop-1-enyl]-2-methoxy-besylic acid Formula: C16H14O5S MolecularWeight: 318.34436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C16H14O5S/c1-21-15-10-8-12(11-16(15)22(18,19)20)7-9-14(17)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19,20)/b9-7+