[4-acetyloxy-5-(1H-imidazol-2-ylsulfinyl)-2,3-dimethoxy-naphthalen-1-yl] 2,2-dimethylhexanoate

Systemtic Name: [4-acetyloxy-5-(1H-imidazol-2-ylsulfinyl)-2,3-dimethoxy-naphthalen-1-yl] 2,2-dimethylhexanoate Openeye Name: [4-acetoxy-5-(1H-imidazol-2-ylsulfinyl)-2,3-dimethoxy-1-naphthyl] 2,2-dimethylhexanoate CAS Name: 2,2-dimethylhexanoic acid [4-acetyloxy-5-(1H-imidazol-2-ylsulfinyl)-2,3-dimethoxy-1-naphthalenyl] ester IUPAC Name: [4-acetyloxy-5-(1H-imidazol-2-ylsulfinyl)-2,3-dimethoxynaphthalen-1-yl] 2,2-dimethylhexanoate Traditional Name: 2,2-dimethylhexanoic acid [4-acetoxy-5-(1H-imidazol-2-ylsulfinyl)-2,3-dimethoxy-1-naphthyl] ester Formula: C25H30N2O7S MolecularWeight: 502.5799

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(=O)OC1=C(C(=C(C2=C1C=CC=C2S(=O)C3=NC=CN3)OC(=O)C)OC)OC

Isomeric SMILES

CCCCC(C)(C)C(=O)OC1=C(C(=C(C2=C1C=CC=C2S(=O)C3=NC=CN3)OC(=O)C)OC)OC

InChI

InChI=1S/C25H30N2O7S/c1-7-8-12-25(3,4)23(29)34-19-16-10-9-11-17(35(30)24-26-13-14-27-24)18(16)20(33-15(2)28)22(32-6)21(19)31-5/h9-11,13-14H,7-8,12H2,1-6H3,(H,26,27)