[4-[5-oxidanyl-4-oxidanylidene-7-(phenylsulfonyloxy)chromen-3-yl]phenyl] benzenesulfonate

Systemtic Name: [4-[5-oxidanyl-4-oxidanylidene-7-(phenylsulfonyloxy)chromen-3-yl]phenyl] benzenesulfonate Openeye Name: [4-[7-(benzenesulfonyloxy)-5-hydroxy-4-oxo-chromen-3-yl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[7-(benzenesulfonyloxy)-5-hydroxy-4-oxo-1-benzopyran-3-yl]phenyl] ester IUPAC Name: [4-[7-(benzenesulfonyloxy)-5-hydroxy-4-oxochromen-3-yl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-(7-besyloxy-5-hydroxy-4-keto-chromen-3-yl)phenyl] ester Formula: C27H18O9S2 MolecularWeight: 550.55642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=COC4=CC(=CC(=C4C3=O)O)OS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=COC4=CC(=CC(=C4C3=O)O)OS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H18O9S2/c28-24-15-20(36-38(32,33)22-9-5-2-6-10-22)16-25-26(24)27(29)23(17-34-25)18-11-13-19(14-12-18)35-37(30,31)21-7-3-1-4-8-21/h1-17,28H