methyl 3-[5-(1,3-dithian-2-yl)-2,4-dimethoxy-phenyl]octanoate

Systemtic Name: methyl 3-[5-(1,3-dithian-2-yl)-2,4-dimethoxy-phenyl]octanoate Openeye Name: methyl 3-[5-(1,3-dithian-2-yl)-2,4-dimethoxy-phenyl]octanoate CAS Name: 3-[5-(1,3-dithian-2-yl)-2,4-dimethoxyphenyl]octanoic acid methyl ester IUPAC Name: methyl 3-[5-(1,3-dithian-2-yl)-2,4-dimethoxyphenyl]octanoate Traditional Name: 3-[5-(1,3-dithian-2-yl)-2,4-dimethoxy-phenyl]caprylic acid methyl ester Formula: C21H32O4S2 MolecularWeight: 412.60638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)OC)C1=C(C=C(C(=C1)C2SCCCS2)OC)OC

Isomeric SMILES

CCCCCC(CC(=O)OC)C1=C(C=C(C(=C1)C2SCCCS2)OC)OC

InChI

InChI=1S/C21H32O4S2/c1-5-6-7-9-15(12-20(22)25-4)16-13-17(21-26-10-8-11-27-21)19(24-3)14-18(16)23-2/h13-15,21H,5-12H2,1-4H3