dibutyl 2-phenylsulfanylbenzene-1,3-dicarboxylate

Systemtic Name: dibutyl 2-phenylsulfanylbenzene-1,3-dicarboxylate Openeye Name: dibutyl 2-phenylsulfanylbenzene-1,3-dicarboxylate CAS Name: 2-(phenylthio)benzene-1,3-dicarboxylic acid dibutyl ester IUPAC Name: dibutyl 2-phenylsulfanylbenzene-1,3-dicarboxylate Traditional Name: 2-(phenylthio)benzene-1,3-dicarboxylic acid dibutyl ester Formula: C22H26O4S MolecularWeight: 386.50444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C(=CC=C1)C(=O)OCCCC)SC2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)C1=C(C(=CC=C1)C(=O)OCCCC)SC2=CC=CC=C2

InChI

InChI=1S/C22H26O4S/c1-3-5-15-25-21(23)18-13-10-14-19(22(24)26-16-6-4-2)20(18)27-17-11-8-7-9-12-17/h7-14H,3-6,15-16H2,1-2H3