2-[4,6-bis[(3-dodecoxy-3-oxidanylidene-propyl)sulfanyl]-1,3,5-triazin-2-yl]-2-cyano-propanoic acid

Systemtic Name: 2-[4,6-bis[(3-dodecoxy-3-oxidanylidene-propyl)sulfanyl]-1,3,5-triazin-2-yl]-2-cyano-propanoic acid Openeye Name: 2-[4,6-bis[(3-dodecoxy-3-oxo-propyl)sulfanyl]-1,3,5-triazin-2-yl]-2-cyano-propanoic acid CAS Name: 2-[4,6-bis[(3-dodecoxy-3-oxopropyl)thio]-1,3,5-triazin-2-yl]-2-cyanopropanoic acid IUPAC Name: 2-[4,6-bis[(3-dodecoxy-3-oxopropyl)sulfanyl]-1,3,5-triazin-2-yl]-2-cyanopropanoic acid Traditional Name: 2-[4,6-bis[(3-keto-3-lauryloxy-propyl)thio]-s-triazin-2-yl]-2-cyano-propionic acid Formula: C37H62N4O6S2 MolecularWeight: 723.04138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CCSC1=NC(=NC(=N1)C(C)(C#N)C(=O)O)SCCC(=O)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CCSC1=NC(=NC(=N1)C(C)(C#N)C(=O)O)SCCC(=O)OCCCCCCCCCCCC

InChI

InChI=1S/C37H62N4O6S2/c1-4-6-8-10-12-14-16-18-20-22-26-46-31(42)24-28-48-35-39-33(37(3,30-38)34(44)45)40-36(41-35)49-29-25-32(43)47-27-23-21-19-17-15-13-11-9-7-5-2/h4-29H2,1-3H3,(H,44,45)