(2,2-dimethyl-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl) 4-methylbenzenesulfonate

Systemtic Name: (2,2-dimethyl-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl) 4-methylbenzenesulfonate Openeye Name: (2,2-dimethyl-6-oxo-pyrano[3,2-b]xanthen-5-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,2-dimethyl-6-oxo-5-pyrano[3,2-b]xanthenyl) ester IUPAC Name: (2,2-dimethyl-6-oxopyrano[3,2-b]xanthen-5-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-keto-2,2-dimethyl-pyrano[3,2-b]xanthen-5-yl) ester Formula: C25H20O6S MolecularWeight: 448.4877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC4=C2C=CC(O4)(C)C)OC5=CC=CC=C5C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC4=C2C=CC(O4)(C)C)OC5=CC=CC=C5C3=O

InChI

InChI=1S/C25H20O6S/c1-15-8-10-16(11-9-15)32(27,28)31-24-18-12-13-25(2,3)30-20(18)14-21-22(24)23(26)17-6-4-5-7-19(17)29-21/h4-14H,1-3H3