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

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-chloranyl-5-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-chloro-4-isobutoxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-chloro-4-isobutoxy-5-methoxy-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:

CC(C)COC1=C(C=C(C=C1Cl)C(=O)OC2=C(C=C(C=C2)C3SCCS3)OC)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1Cl)C(=O)OC2=C(C=C(C=C2)C3SCCS3)OC)OC

InChI

InChI=1S/C22H25ClO5S2/c1-13(2)12-27-20-16(23)9-15(11-19(20)26-4)21(24)28-17-6-5-14(10-18(17)25-3)22-29-7-8-30-22/h5-6,9-11,13,22H,7-8,12H2,1-4H3