methyl 2-(2-bromanyl-5-ethyl-3,6-dimethoxy-9,9-dimethyl-xanthen-4-yl)ethanoate

Systemtic Name: methyl 2-(2-bromanyl-5-ethyl-3,6-dimethoxy-9,9-dimethyl-xanthen-4-yl)ethanoate Openeye Name: methyl 2-(2-bromo-5-ethyl-3,6-dimethoxy-9,9-dimethyl-xanthen-4-yl)acetate CAS Name: 2-(2-bromo-5-ethyl-3,6-dimethoxy-9,9-dimethyl-4-xanthenyl)acetic acid methyl ester IUPAC Name: methyl 2-(2-bromo-5-ethyl-3,6-dimethoxy-9,9-dimethylxanthen-4-yl)acetate Traditional Name: 2-(2-bromo-5-ethyl-3,6-dimethoxy-9,9-dimethyl-xanthen-4-yl)acetic acid methyl ester Formula: C22H25BrO5 MolecularWeight: 449.3349

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=C1OC3=C(C(=C(C=C3C2(C)C)Br)OC)CC(=O)OC)OC

Isomeric SMILES

CCC1=C(C=CC2=C1OC3=C(C(=C(C=C3C2(C)C)Br)OC)CC(=O)OC)OC

InChI

InChI=1S/C22H25BrO5/c1-7-12-17(25-4)9-8-14-19(12)28-20-13(10-18(24)26-5)21(27-6)16(23)11-15(20)22(14,2)3/h8-9,11H,7,10H2,1-6H3