4-[3-methoxy-5-[oxidanyl-(2-phenyl-1,3-dithian-2-yl)methyl]phenoxy]butanoic acid

Systemtic Name: 4-[3-methoxy-5-[oxidanyl-(2-phenyl-1,3-dithian-2-yl)methyl]phenoxy]butanoic acid Openeye Name: 4-[3-[hydroxy-(2-phenyl-1,3-dithian-2-yl)methyl]-5-methoxy-phenoxy]butanoic acid CAS Name: 4-[3-[hydroxy-(2-phenyl-1,3-dithian-2-yl)methyl]-5-methoxyphenoxy]butanoic acid IUPAC Name: 4-[3-[hydroxy-(2-phenyl-1,3-dithian-2-yl)methyl]-5-methoxyphenoxy]butanoic acid Traditional Name: 4-[3-[hydroxy-(2-phenyl-1,3-dithian-2-yl)methyl]-5-methoxy-phenoxy]butyric acid Formula: C22H26O5S2 MolecularWeight: 434.56884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(C2(SCCCS2)C3=CC=CC=C3)O)OCCCC(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1)C(C2(SCCCS2)C3=CC=CC=C3)O)OCCCC(=O)O

InChI

InChI=1S/C22H26O5S2/c1-26-18-13-16(14-19(15-18)27-10-5-9-20(23)24)21(25)22(28-11-6-12-29-22)17-7-3-2-4-8-17/h2-4,7-8,13-15,21,25H,5-6,9-12H2,1H3,(H,23,24)