tert-butyl 4-[3-[acetyloxy-(2-phenyl-1,3-dithian-2-yl)methyl]-5-methoxy-phenoxy]butanoate

Systemtic Name: tert-butyl 4-[3-[acetyloxy-(2-phenyl-1,3-dithian-2-yl)methyl]-5-methoxy-phenoxy]butanoate Openeye Name: tert-butyl 4-[3-[acetoxy-(2-phenyl-1,3-dithian-2-yl)methyl]-5-methoxy-phenoxy]butanoate CAS Name: 4-[3-[acetyloxy-(2-phenyl-1,3-dithian-2-yl)methyl]-5-methoxyphenoxy]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[acetyloxy-(2-phenyl-1,3-dithian-2-yl)methyl]-5-methoxyphenoxy]butanoate Traditional Name: 4-[3-[acetoxy-(2-phenyl-1,3-dithian-2-yl)methyl]-5-methoxy-phenoxy]butyric acid tert-butyl ester Formula: C28H36O6S2 MolecularWeight: 532.71184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC(=CC(=C1)OCCCC(=O)OC(C)(C)C)OC)C2(SCCCS2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)OC(C1=CC(=CC(=C1)OCCCC(=O)OC(C)(C)C)OC)C2(SCCCS2)C3=CC=CC=C3

InChI

InChI=1S/C28H36O6S2/c1-20(29)33-26(28(35-15-10-16-36-28)22-11-7-6-8-12-22)21-17-23(31-5)19-24(18-21)32-14-9-13-25(30)34-27(2,3)4/h6-8,11-12,17-19,26H,9-10,13-16H2,1-5H3