5-(2,3-didecoxypropoxy)-5-oxidanylidene-pentanoic acid; phenoxazin-3-one

Systemtic Name: 5-(2,3-didecoxypropoxy)-5-oxidanylidene-pentanoic acid; phenoxazin-3-one Openeye Name: 5-(2,3-didecoxypropoxy)-5-oxo-pentanoic acid; phenoxazin-3-one CAS Name: 5-(2,3-didecoxypropoxy)-5-oxopentanoic acid; 3-phenoxazinone IUPAC Name: 5-(2,3-didecoxypropoxy)-5-oxopentanoic acid; phenoxazin-3-one Traditional Name: 5-(2,3-didecoxypropoxy)-5-keto-valeric acid; phenoxazin-3-one Formula: C40H61NO8 MolecularWeight: 683.91424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOCC(COC(=O)CCCC(=O)O)OCCCCCCCCCC.C1=CC=C2C(=C1)N=C3C=CC(=O)C=C3O2

Isomeric SMILES

CCCCCCCCCCOCC(COC(=O)CCCC(=O)O)OCCCCCCCCCC.C1=CC=C2C(=C1)N=C3C=CC(=O)C=C3O2

InChI

InChI=1S/C28H54O6.C12H7NO2/c1-3-5-7-9-11-13-15-17-22-32-24-26(25-34-28(31)21-19-20-27(29)30)33-23-18-16-14-12-10-8-6-4-2;14-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)13-10/h26H,3-25H2,1-2H3,(H,29,30);1-7H