O1-(phenylmethylsulfanyl) O4-propan-2-yl 2-propan-2-ylbenzene-1,4-dicarboxylate

Systemtic Name: O1-(phenylmethylsulfanyl) O4-propan-2-yl 2-propan-2-ylbenzene-1,4-dicarboxylate Openeye Name: O1-benzylsulfanyl O4-isopropyl 2-isopropylbenzene-1,4-dicarboxylate CAS Name: 2-propan-2-ylbenzene-1,4-dicarboxylic acid O1-(phenylmethylthio) ester O4-propan-2-yl ester IUPAC Name: 1-O-benzylsulfanyl 4-O-propan-2-yl 2-propan-2-ylbenzene-1,4-dicarboxylate Traditional Name: 2-isopropylbenzene-1,4-dicarboxylic acid O1-(benzylthio) ester O4-isopropyl ester Formula: C21H24O4S MolecularWeight: 372.47786

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H24O4S/c1-14(2)19-12-17(20(22)24-15(3)4)10-11-18(19)21(23)25-26-13-16-8-6-5-7-9-16/h5-12,14-15H,13H2,1-4H3