4-[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-3-(phenylmethyl)oxolan-2-one

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-3-(phenylmethyl)oxolan-2-one Openeye Name: 3-benzyl-4-[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]tetrahydrofuran-2-one CAS Name: 4-[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-3-(phenylmethyl)-2-oxolanone IUPAC Name: 3-benzyl-4-[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]oxolan-2-one Traditional Name: 3-benzyl-4-[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]tetrahydrofuran-2-one Formula: C23H26O4S2 MolecularWeight: 430.58014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(SCCCS2)C3COC(=O)C3CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(SCCCS2)C3COC(=O)C3CC4=CC=CC=C4)OC

InChI

InChI=1S/C23H26O4S2/c1-25-20-10-9-17(14-21(20)26-2)23(28-11-6-12-29-23)19-15-27-22(24)18(19)13-16-7-4-3-5-8-16/h3-5,7-10,14,18-19H,6,11-13,15H2,1-2H3