[2-[5-(3,4-dichlorophenyl)-4,6-bis(oxidanylidene)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] benzenesulfonate

Systemtic Name: [2-[5-(3,4-dichlorophenyl)-4,6-bis(oxidanylidene)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] benzenesulfonate Openeye Name: [2-[5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazol-3-yl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-[5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazol-3-yl]phenyl] ester IUPAC Name: [2-[5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-[5-(3,4-dichlorophenyl)-4,6-diketo-2-phenyl-3a,6a-dihydro-3H-pyrrol[3,4-d]isoxazol-3-yl]phenyl] ester Formula: C29H20Cl2N2O6S MolecularWeight: 595.4499

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5OS(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5OS(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C29H20Cl2N2O6S/c30-22-16-15-19(17-23(22)31)32-28(34)25-26(33(38-27(25)29(32)35)18-9-3-1-4-10-18)21-13-7-8-14-24(21)39-40(36,37)20-11-5-2-6-12-20/h1-17,25-27H