[4-acetyloxy-2,3-dimethoxy-8-(phenylmethyl)sulfinyl-naphthalen-1-yl] 4-iodanylbutanoate

Systemtic Name: [4-acetyloxy-2,3-dimethoxy-8-(phenylmethyl)sulfinyl-naphthalen-1-yl] 4-iodanylbutanoate Openeye Name: (4-acetoxy-8-benzylsulfinyl-2,3-dimethoxy-1-naphthyl) 4-iodobutanoate CAS Name: 4-iodobutanoic acid [4-acetyloxy-2,3-dimethoxy-8-(phenylmethyl)sulfinyl-1-naphthalenyl] ester IUPAC Name: (4-acetyloxy-8-benzylsulfinyl-2,3-dimethoxynaphthalen-1-yl) 4-iodobutanoate Traditional Name: 4-iodobutyric acid (4-acetoxy-8-benzylsulfinyl-2,3-dimethoxy-1-naphthyl) ester Formula: C25H25IO7S MolecularWeight: 596.43127

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=C(C2=C1C=CC=C2S(=O)CC3=CC=CC=C3)OC(=O)CCCI)OC)OC

Isomeric SMILES

CC(=O)OC1=C(C(=C(C2=C1C=CC=C2S(=O)CC3=CC=CC=C3)OC(=O)CCCI)OC)OC

InChI

InChI=1S/C25H25IO7S/c1-16(27)32-22-18-11-7-12-19(34(29)15-17-9-5-4-6-10-17)21(18)23(25(31-3)24(22)30-2)33-20(28)13-8-14-26/h4-7,9-12H,8,13-15H2,1-3H3