[4-(1,3-dithiolan-2-yl)phenyl] 3,4,5-triethoxybenzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 3,4,5-triethoxybenzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C22H26O5S2 MolecularWeight: 434.56884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C22H26O5S2/c1-4-24-18-13-16(14-19(25-5-2)20(18)26-6-3)21(23)27-17-9-7-15(8-10-17)22-28-11-12-29-22/h7-10,13-14,22H,4-6,11-12H2,1-3H3