(2,2-dimethyl-6-oxidanylidene-thiochromeno[3,2-g]chromen-5-yl) 4-methylbenzenesulfonate

Systemtic Name: (2,2-dimethyl-6-oxidanylidene-thiochromeno[3,2-g]chromen-5-yl) 4-methylbenzenesulfonate Openeye Name: (2,2-dimethyl-6-oxo-thiochromeno[3,2-g]chromen-5-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,2-dimethyl-6-oxo-5-thiochromeno[3,2-g][1]benzopyranyl) ester IUPAC Name: (2,2-dimethyl-6-oxothiochromeno[3,2-g]chromen-5-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-keto-2,2-dimethyl-thiochromeno[3,2-g]chromen-5-yl) ester Formula: C25H20O5S2 MolecularWeight: 464.5533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C=CC(OC3=CC4=C2C(=O)C5=CC=CC=C5S4)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C=CC(OC3=CC4=C2C(=O)C5=CC=CC=C5S4)(C)C

InChI

InChI=1S/C25H20O5S2/c1-15-8-10-16(11-9-15)32(27,28)30-24-17-12-13-25(2,3)29-19(17)14-21-22(24)23(26)18-6-4-5-7-20(18)31-21/h4-14H,1-3H3