O1-(6-methylheptyl) O2-(2-sulfanylethyl) benzene-1,2-dicarboxylate

Systemtic Name: O1-(6-methylheptyl) O2-(2-sulfanylethyl) benzene-1,2-dicarboxylate Openeye Name: O1-(6-methylheptyl) O2-(2-sulfanylethyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-(2-mercaptoethyl) ester O1-(6-methylheptyl) ester IUPAC Name: 1-O-(6-methylheptyl) 2-O-(2-sulfanylethyl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-(2-mercaptoethyl) ester O1-(6-methylheptyl) ester Formula: C18H26O4S MolecularWeight: 338.46164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCS

Isomeric SMILES

CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCS

InChI

InChI=1S/C18H26O4S/c1-14(2)8-4-3-7-11-21-17(19)15-9-5-6-10-16(15)18(20)22-12-13-23/h5-6,9-10,14,23H,3-4,7-8,11-13H2,1-2H3