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

Systemtic Name: (11-methoxy-3,3-dimethyl-7-oxidanylidene-pyrano[2,3-c]xanthen-6-yl) 4-methylbenzenesulfonate Openeye Name: (11-methoxy-3,3-dimethyl-7-oxo-pyrano[2,3-c]xanthen-6-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (11-methoxy-3,3-dimethyl-7-oxo-6-pyrano[2,3-c]xanthenyl) ester IUPAC Name: (11-methoxy-3,3-dimethyl-7-oxopyrano[2,3-c]xanthen-6-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (7-keto-11-methoxy-3,3-dimethyl-pyrano[2,3-c]xanthen-6-yl) ester Formula: C26H22O7S MolecularWeight: 478.51368

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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)OC5=C(C3=O)C=CC=C5OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C4C=CC(OC4=C2)(C)C)OC5=C(C3=O)C=CC=C5OC

InChI

InChI=1S/C26H22O7S/c1-15-8-10-16(11-9-15)34(28,29)33-21-14-20-17(12-13-26(2,3)32-20)25-22(21)23(27)18-6-5-7-19(30-4)24(18)31-25/h5-14H,1-4H3