4-[(E)-2-[3-(2-methylpropoxycarbonyl)-4-oxidanyl-phenyl]ethenyl]benzenesulfonic acid

Systemtic Name: 4-[(E)-2-[3-(2-methylpropoxycarbonyl)-4-oxidanyl-phenyl]ethenyl]benzenesulfonic acid Openeye Name: 4-[(E)-2-(4-hydroxy-3-isobutoxycarbonyl-phenyl)vinyl]benzenesulfonic acid CAS Name: 4-[(E)-2-[4-hydroxy-3-[2-methylpropoxy(oxo)methyl]phenyl]ethenyl]benzenesulfonic acid IUPAC Name: 4-[(E)-2-[4-hydroxy-3-(2-methylpropoxycarbonyl)phenyl]ethenyl]benzenesulfonic acid Traditional Name: 4-[(E)-2-(4-hydroxy-3-isobutoxycarbonyl-phenyl)vinyl]besylic acid Formula: C19H20O6S MolecularWeight: 376.4235

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=C(C=CC(=C1)C=CC2=CC=C(C=C2)S(=O)(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H20O6S/c1-13(2)12-25-19(21)17-11-15(7-10-18(17)20)4-3-14-5-8-16(9-6-14)26(22,23)24/h3-11,13,20H,12H2,1-2H3,(H,22,23,24)/b4-3+