(3,3-dimethyl-7-oxidanylidene-pyrano[2,3-c]xanthen-6-yl) 4-methylbenzenesulfonate

Systemtic Name: (3,3-dimethyl-7-oxidanylidene-pyrano[2,3-c]xanthen-6-yl) 4-methylbenzenesulfonate Openeye Name: (3,3-dimethyl-7-oxo-pyrano[2,3-c]xanthen-6-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3,3-dimethyl-7-oxo-6-pyrano[2,3-c]xanthenyl) ester IUPAC Name: (3,3-dimethyl-7-oxopyrano[2,3-c]xanthen-6-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (7-keto-3,3-dimethyl-pyrano[2,3-c]xanthen-6-yl) ester Formula: C25H20O6S MolecularWeight: 448.4877

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C4C=CC(OC4=C2)(C)C)OC5=CC=CC=C5C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C4C=CC(OC4=C2)(C)C)OC5=CC=CC=C5C3=O

InChI

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