O1-[(3-chlorophenyl)methylsulfanyl] O4-propan-2-yl 2-propan-2-ylbenzene-1,4-dicarboxylate

Systemtic Name: O1-[(3-chlorophenyl)methylsulfanyl] O4-propan-2-yl 2-propan-2-ylbenzene-1,4-dicarboxylate Openeye Name: O1-[(3-chlorophenyl)methylsulfanyl] O4-isopropyl 2-isopropylbenzene-1,4-dicarboxylate CAS Name: 2-propan-2-ylbenzene-1,4-dicarboxylic acid O1-[(3-chlorophenyl)methylthio] ester O4-propan-2-yl ester IUPAC Name: 1-O-[(3-chlorophenyl)methylsulfanyl] 4-O-propan-2-yl 2-propan-2-ylbenzene-1,4-dicarboxylate Traditional Name: 2-isopropylbenzene-1,4-dicarboxylic acid O1-[(3-chlorobenzyl)thio] ester O4-isopropyl ester Formula: C21H23ClO4S MolecularWeight: 406.92292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)C(=O)OC(C)C)C(=O)OSCC2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)C(=O)OC(C)C)C(=O)OSCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C21H23ClO4S/c1-13(2)19-11-16(20(23)25-14(3)4)8-9-18(19)21(24)26-27-12-15-6-5-7-17(22)10-15/h5-11,13-14H,12H2,1-4H3