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

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

CCCC(OC1=C(C(=C(C2=C1C=CC=C2S(=O)CC(=O)OC)OC(=O)C)OC)OC)I

Isomeric SMILES

CCCC(OC1=C(C(=C(C2=C1C=CC=C2S(=O)CC(=O)OC)OC(=O)C)OC)OC)I

InChI

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