(E)-2-methoxycarbonyl-3-phenyl-prop-2-ene-1-sulfonic acid

Systemtic Name: (E)-2-methoxycarbonyl-3-phenyl-prop-2-ene-1-sulfonic acid Openeye Name: (E)-2-methoxycarbonyl-3-phenyl-prop-2-ene-1-sulfonic acid CAS Name: (E)-2-methoxycarbonyl-3-phenyl-2-propene-1-sulfonic acid IUPAC Name: (E)-2-methoxycarbonyl-3-phenylprop-2-ene-1-sulfonic acid Traditional Name: (E)-2-carbomethoxy-3-phenyl-prop-2-ene-1-sulfonic acid Formula: C11H12O5S MolecularWeight: 256.27498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC=CC=C1)CS(=O)(=O)O

Isomeric SMILES

COC(=O)/C(=C\C1=CC=CC=C1)/CS(=O)(=O)O

InChI

InChI=1S/C11H12O5S/c1-16-11(12)10(8-17(13,14)15)7-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,13,14,15)/b10-7-