3-heptyl-2-(1-oxidanyl-1-oxidanylidene-heptan-2-yl)sulfanyl-2-pentyl-nonadecanoic acid

Systemtic Name: 3-heptyl-2-(1-oxidanyl-1-oxidanylidene-heptan-2-yl)sulfanyl-2-pentyl-nonadecanoic acid Openeye Name: 2-(1-carboxyhexylsulfanyl)-3-heptyl-2-pentyl-nonadecanoic acid CAS Name: 3-heptyl-2-[(1-hydroxy-1-oxoheptan-2-yl)thio]-2-pentylnonadecanoic acid IUPAC Name: 3-heptyl-2-(1-hydroxy-1-oxoheptan-2-yl)sulfanyl-2-pentylnonadecanoic acid Traditional Name: 2-amyl-2-(1-carboxyhexylthio)-3-heptyl-nonadecanoic acid Formula: C38H74O4S MolecularWeight: 627.05676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCC)C(CCCCC)(C(=O)O)SC(CCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCC)C(CCCCC)(C(=O)O)SC(CCCCC)C(=O)O

InChI

InChI=1S/C38H74O4S/c1-5-9-13-15-16-17-18-19-20-21-22-23-25-28-31-34(30-27-24-14-10-6-2)38(37(41)42,33-29-12-8-4)43-35(36(39)40)32-26-11-7-3/h34-35H,5-33H2,1-4H3,(H,39,40)(H,41,42)