[(2,4-dichlorophenyl)-(3-oxidanylidene-1H-2-benzofuran-1-yl)methyl] 4-methylbenzenesulfonate

Systemtic Name: [(2,4-dichlorophenyl)-(3-oxidanylidene-1H-2-benzofuran-1-yl)methyl] 4-methylbenzenesulfonate Openeye Name: [(2,4-dichlorophenyl)-(3-oxo-1H-isobenzofuran-1-yl)methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2,4-dichlorophenyl)-(3-oxo-1H-isobenzofuran-1-yl)methyl] ester IUPAC Name: [(2,4-dichlorophenyl)-(3-oxo-1H-2-benzofuran-1-yl)methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2,4-dichlorophenyl)-phthalidyl-methyl] ester Formula: C22H16Cl2O5S MolecularWeight: 463.33044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2C3=CC=CC=C3C(=O)O2)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C2C3=CC=CC=C3C(=O)O2)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H16Cl2O5S/c1-13-6-9-15(10-7-13)30(26,27)29-21(18-11-8-14(23)12-19(18)24)20-16-4-2-3-5-17(16)22(25)28-20/h2-12,20-21H,1H3