[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3,5-dimethoxy-4-phenylmethoxy-benzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3,5-dimethoxy-4-phenylmethoxy-benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-benzyloxy-3,5-dimethoxy-benzoate CAS Name: 3,5-dimethoxy-4-phenylmethoxybenzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3,5-dimethoxy-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-3,5-dimethoxy-benzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C26H26O6S2 MolecularWeight: 498.61104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(=O)OC3=C(C=C(C=C3)C4SCCS4)OC

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(=O)OC3=C(C=C(C=C3)C4SCCS4)OC

InChI

InChI=1S/C26H26O6S2/c1-28-21-13-18(26-33-11-12-34-26)9-10-20(21)32-25(27)19-14-22(29-2)24(23(15-19)30-3)31-16-17-7-5-4-6-8-17/h4-10,13-15,26H,11-12,16H2,1-3H3