3,3-diheptylthiolane-2,2-dicarboxylic acid

Systemtic Name: 3,3-diheptylthiolane-2,2-dicarboxylic acid Openeye Name: 3,3-diheptyltetrahydrothiophene-2,2-dicarboxylic acid CAS Name: 3,3-diheptylthiolane-2,2-dicarboxylic acid IUPAC Name: 3,3-diheptylthiolane-2,2-dicarboxylic acid Traditional Name: 3,3-diheptyltetrahydrothiophene-2,2-dicarboxylic acid Formula: C20H36O4S MolecularWeight: 372.56244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCSC1(C(=O)O)C(=O)O)CCCCCCC

Isomeric SMILES

CCCCCCCC1(CCSC1(C(=O)O)C(=O)O)CCCCCCC

InChI

InChI=1S/C20H36O4S/c1-3-5-7-9-11-13-19(14-12-10-8-6-4-2)15-16-25-20(19,17(21)22)18(23)24/h3-16H2,1-2H3,(H,21,22)(H,23,24)