[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C22H25ClO5S2 MolecularWeight: 469.0139

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OC2=C(C=C(C=C2)C3SCCS3)OC)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OC2=C(C=C(C=C2)C3SCCS3)OC)OCC

InChI

InChI=1S/C22H25ClO5S2/c1-4-8-27-20-16(23)11-15(13-19(20)26-5-2)21(24)28-17-7-6-14(12-18(17)25-3)22-29-9-10-30-22/h6-7,11-13,22H,4-5,8-10H2,1-3H3