4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-3-[(3-phenylmethoxyphenyl)methyl]oxolan-2-one

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-3-[(3-phenylmethoxyphenyl)methyl]oxolan-2-one Openeye Name: 4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-3-[(3-benzyloxyphenyl)methyl]tetrahydrofuran-2-one CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-3-[(3-phenylmethoxyphenyl)methyl]-2-oxolanone IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-3-[(3-phenylmethoxyphenyl)methyl]oxolan-2-one Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-3-(3-benzoxybenzyl)tetrahydrofuran-2-one Formula: C29H28O5S2 MolecularWeight: 520.65962

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)(C2COC(=O)C2CC3=CC(=CC=C3)OCC4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CSC(SC1)(C2COC(=O)C2CC3=CC(=CC=C3)OCC4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H28O5S2/c30-28-24(15-21-8-4-9-23(14-21)31-17-20-6-2-1-3-7-20)25(18-32-28)29(35-12-5-13-36-29)22-10-11-26-27(16-22)34-19-33-26/h1-4,6-11,14,16,24-25H,5,12-13,15,17-19H2