12-oxidanylidene-12-[[2-(5-oxidanyl-5-oxidanylidene-pentoxy)phenyl]sulfanylmethylamino]dodecanoic acid

Systemtic Name: 12-oxidanylidene-12-[[2-(5-oxidanyl-5-oxidanylidene-pentoxy)phenyl]sulfanylmethylamino]dodecanoic acid Openeye Name: 12-[[2-(5-hydroxy-5-oxo-pentoxy)phenyl]sulfanylmethylamino]-12-oxo-dodecanoic acid CAS Name: 12-[[[2-(5-hydroxy-5-oxopentoxy)phenyl]thio]methylamino]-12-oxododecanoic acid IUPAC Name: 12-[[2-(5-hydroxy-5-oxopentoxy)phenyl]sulfanylmethylamino]-12-oxododecanoic acid Traditional Name: 12-[[[2-(5-hydroxy-5-keto-pentoxy)phenyl]thio]methylamino]-12-keto-lauric acid Formula: C24H37NO6S MolecularWeight: 467.61868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCCCCC(=O)O)SCNC(=O)CCCCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)OCCCCC(=O)O)SCNC(=O)CCCCCCCCCCC(=O)O

InChI

InChI=1S/C24H37NO6S/c26-22(15-7-5-3-1-2-4-6-8-16-23(27)28)25-19-32-21-14-10-9-13-20(21)31-18-12-11-17-24(29)30/h9-10,13-14H,1-8,11-12,15-19H2,(H,25,26)(H,27,28)(H,29,30)