2-(5-methanoyl-3,6-dimethoxy-1,9,9-trimethyl-xanthen-4-yl)ethanoate

Systemtic Name: 2-(5-methanoyl-3,6-dimethoxy-1,9,9-trimethyl-xanthen-4-yl)ethanoate Openeye Name: 2-(5-formyl-3,6-dimethoxy-1,9,9-trimethyl-xanthen-4-yl)acetate CAS Name: 2-(5-formyl-3,6-dimethoxy-1,9,9-trimethyl-4-xanthenyl)acetate IUPAC Name: 2-(5-formyl-3,6-dimethoxy-1,9,9-trimethylxanthen-4-yl)acetate Traditional Name: 2-(5-formyl-3,6-dimethoxy-1,9,9-trimethyl-xanthen-4-yl)acetate Formula: C21H21O6- MolecularWeight: 369.38784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(C3=C(O2)C(=C(C=C3)OC)C=O)(C)C)CC(=O)[O-])OC

Isomeric SMILES

CC1=CC(=C(C2=C1C(C3=C(O2)C(=C(C=C3)OC)C=O)(C)C)CC(=O)[O-])OC

InChI

InChI=1S/C21H22O6/c1-11-8-16(26-5)12(9-17(23)24)20-18(11)21(2,3)14-6-7-15(25-4)13(10-22)19(14)27-20/h6-8,10H,9H2,1-5H3,(H,23,24)/p-1