[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-ethoxy-4-propoxy-benzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-ethoxy-4-propoxy-benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C22H26O5S2 MolecularWeight: 434.56884

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C3SCCS3)OC)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C3SCCS3)OC)OCC

InChI

InChI=1S/C22H26O5S2/c1-4-10-26-17-8-6-15(13-20(17)25-5-2)21(23)27-18-9-7-16(14-19(18)24-3)22-28-11-12-29-22/h6-9,13-14,22H,4-5,10-12H2,1-3H3