methyl 2-[5-acetyloxy-8-(4-iodanylbutoxy)-6,7-dimethoxy-naphthalen-1-yl]sulfinylethanoate

Systemtic Name: methyl 2-[5-acetyloxy-8-(4-iodanylbutoxy)-6,7-dimethoxy-naphthalen-1-yl]sulfinylethanoate Openeye Name: methyl 2-[[5-acetoxy-8-(4-iodobutoxy)-6,7-dimethoxy-1-naphthyl]sulfinyl]acetate CAS Name: 2-[[5-acetyloxy-8-(4-iodobutoxy)-6,7-dimethoxy-1-naphthalenyl]sulfinyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-acetyloxy-8-(4-iodobutoxy)-6,7-dimethoxynaphthalen-1-yl]sulfinylacetate Traditional Name: 2-[[5-acetoxy-8-(4-iodobutoxy)-6,7-dimethoxy-1-naphthyl]sulfinyl]acetic acid methyl ester Formula: C21H25IO8S MolecularWeight: 564.38787

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=C(C2=C1C=CC=C2S(=O)CC(=O)OC)OCCCCI)OC)OC

Isomeric SMILES

CC(=O)OC1=C(C(=C(C2=C1C=CC=C2S(=O)CC(=O)OC)OCCCCI)OC)OC

InChI

InChI=1S/C21H25IO8S/c1-13(23)30-18-14-8-7-9-15(31(25)12-16(24)26-2)17(14)19(29-11-6-5-10-22)21(28-4)20(18)27-3/h7-9H,5-6,10-12H2,1-4H3