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

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-chloranyl-5-methoxy-4-propan-2-yloxy-benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-chloro-4-isopropoxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-propan-2-yloxybenzoic 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-propan-2-yloxybenzoate Traditional Name: 3-chloro-4-isopropoxy-5-methoxy-benzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C21H23ClO5S2 MolecularWeight: 454.98732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C(=O)OC2=C(C=C(C=C2)C3SCCS3)OC)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)C(=O)OC2=C(C=C(C=C2)C3SCCS3)OC)OC

InChI

InChI=1S/C21H23ClO5S2/c1-12(2)26-19-15(22)9-14(11-18(19)25-4)20(23)27-16-6-5-13(10-17(16)24-3)21-28-7-8-29-21/h5-6,9-12,21H,7-8H2,1-4H3