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

Systemtic Name: tert-butyl 4-[3-methoxy-5-[oxidanyl-(2-phenyl-1,3-dithian-2-yl)methyl]phenoxy]butanoate Openeye Name: tert-butyl 4-[3-[hydroxy-(2-phenyl-1,3-dithian-2-yl)methyl]-5-methoxy-phenoxy]butanoate CAS Name: 4-[3-[hydroxy-(2-phenyl-1,3-dithian-2-yl)methyl]-5-methoxyphenoxy]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[hydroxy-(2-phenyl-1,3-dithian-2-yl)methyl]-5-methoxyphenoxy]butanoate Traditional Name: 4-[3-[hydroxy-(2-phenyl-1,3-dithian-2-yl)methyl]-5-methoxy-phenoxy]butyric acid tert-butyl ester Formula: C26H34O5S2 MolecularWeight: 490.67516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCOC1=CC(=CC(=C1)OC)C(C2(SCCCS2)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)CCCOC1=CC(=CC(=C1)OC)C(C2(SCCCS2)C3=CC=CC=C3)O

InChI

InChI=1S/C26H34O5S2/c1-25(2,3)31-23(27)12-8-13-30-22-17-19(16-21(18-22)29-4)24(28)26(32-14-9-15-33-26)20-10-6-5-7-11-20/h5-7,10-11,16-18,24,28H,8-9,12-15H2,1-4H3