6-[9-(carboxymethyl)tetradecan-6-ylsulfanyl]-3-pentyl-undecanoic acid

Systemtic Name: 6-[9-(carboxymethyl)tetradecan-6-ylsulfanyl]-3-pentyl-undecanoic acid Openeye Name: 6-[4-(carboxymethyl)-1-pentyl-nonyl]sulfanyl-3-pentyl-undecanoic acid CAS Name: 6-[9-(carboxymethyl)tetradecan-6-ylthio]-3-pentylundecanoic acid IUPAC Name: 6-[9-(carboxymethyl)tetradecan-6-ylsulfanyl]-3-pentylundecanoic acid Traditional Name: 3-amyl-6-[[1-amyl-4-(carboxymethyl)nonyl]thio]undecanoic acid Formula: C32H62O4S MolecularWeight: 542.89728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC(CCCCC)SC(CCCCC)CCC(CCCCC)CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCC(CCC(CCCCC)SC(CCCCC)CCC(CCCCC)CC(=O)O)CC(=O)O

InChI

InChI=1S/C32H62O4S/c1-5-9-13-17-27(25-31(33)34)21-23-29(19-15-11-7-3)37-30(20-16-12-8-4)24-22-28(26-32(35)36)18-14-10-6-2/h27-30H,5-26H2,1-4H3,(H,33,34)(H,35,36)