(3,3-dimethyl-7-oxidanylidene-thiochromeno[2,3-f]chromen-6-yl) 4-methylbenzenesulfonate

Systemtic Name: (3,3-dimethyl-7-oxidanylidene-thiochromeno[2,3-f]chromen-6-yl) 4-methylbenzenesulfonate Openeye Name: (3,3-dimethyl-7-oxo-thiochromeno[2,3-f]chromen-6-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3,3-dimethyl-7-oxo-6-thiochromeno[2,3-f][1]benzopyranyl) ester IUPAC Name: (3,3-dimethyl-7-oxothiochromeno[2,3-f]chromen-6-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (7-keto-3,3-dimethyl-thiochromeno[2,3-f]chromen-6-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(=C4C=CC(OC4=C2)(C)C)SC5=CC=CC=C5C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C4C=CC(OC4=C2)(C)C)SC5=CC=CC=C5C3=O

InChI

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