(2,2-dimethyl-8-oxidanylidene-6-propanoyl-10-propyl-3,4-dihydropyrano[2,3-f]chromen-5-yl) 4-methylbenzenesulfonate

Systemtic Name: (2,2-dimethyl-8-oxidanylidene-6-propanoyl-10-propyl-3,4-dihydropyrano[2,3-f]chromen-5-yl) 4-methylbenzenesulfonate Openeye Name: (2,2-dimethyl-8-oxo-6-propanoyl-10-propyl-3,4-dihydropyrano[2,3-f]chromen-5-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,2-dimethyl-8-oxo-6-(1-oxopropyl)-10-propyl-3,4-dihydropyrano[2,3-f][1]benzopyran-5-yl] ester IUPAC Name: (2,2-dimethyl-8-oxo-6-propanoyl-10-propyl-3,4-dihydropyrano[2,3-f]chromen-5-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (8-keto-2,2-dimethyl-6-propionyl-10-propyl-3,4-dihydropyrano[2,3-f]chromen-5-yl) ester Formula: C27H30O7S MolecularWeight: 498.5879

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C3=C(CCC(O3)(C)C)C(=C2C(=O)CC)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C3=C(CCC(O3)(C)C)C(=C2C(=O)CC)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H30O7S/c1-6-8-17-15-21(29)32-26-22(17)24-19(13-14-27(4,5)33-24)25(23(26)20(28)7-2)34-35(30,31)18-11-9-16(3)10-12-18/h9-12,15H,6-8,13-14H2,1-5H3