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

Systemtic Name: [4-[4-oxidanylidene-5,7-bis(phenylsulfonyloxy)chromen-3-yl]phenyl] benzenesulfonate Openeye Name: [4-[5,7-bis(benzenesulfonyloxy)-4-oxo-chromen-3-yl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[5,7-bis(benzenesulfonyloxy)-4-oxo-1-benzopyran-3-yl]phenyl] ester IUPAC Name: [4-[5,7-bis(benzenesulfonyloxy)-4-oxochromen-3-yl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-(5,7-dibesyloxy-4-keto-chromen-3-yl)phenyl] ester Formula: C33H22O11S3 MolecularWeight: 690.71618

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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)OS(=O)(=O)C5=CC=CC=C5)OS(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=COC4=CC(=CC(=C4C3=O)OS(=O)(=O)C5=CC=CC=C5)OS(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C33H22O11S3/c34-33-29(23-16-18-24(19-17-23)42-45(35,36)26-10-4-1-5-11-26)22-41-30-20-25(43-46(37,38)27-12-6-2-7-13-27)21-31(32(30)33)44-47(39,40)28-14-8-3-9-15-28/h1-22H