3-(2-dodecoxy-2-oxidanylidene-1-sulfanyl-ethyl)pentadecanoic acid

Systemtic Name: 3-(2-dodecoxy-2-oxidanylidene-1-sulfanyl-ethyl)pentadecanoic acid Openeye Name: 3-(2-dodecoxy-2-oxo-1-sulfanyl-ethyl)pentadecanoic acid CAS Name: 3-(2-dodecoxy-1-mercapto-2-oxoethyl)pentadecanoic acid IUPAC Name: 3-(2-dodecoxy-2-oxo-1-sulfanylethyl)pentadecanoic acid Traditional Name: 3-(2-keto-2-lauryloxy-1-mercapto-ethyl)pentadecanoic acid Formula: C29H56O4S MolecularWeight: 500.81754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CC(=O)O)C(C(=O)OCCCCCCCCCCCC)S

Isomeric SMILES

CCCCCCCCCCCCC(CC(=O)O)C(C(=O)OCCCCCCCCCCCC)S

InChI

InChI=1S/C29H56O4S/c1-3-5-7-9-11-13-15-17-19-21-23-26(25-27(30)31)28(34)29(32)33-24-22-20-18-16-14-12-10-8-6-4-2/h26,28,34H,3-25H2,1-2H3,(H,30,31)