5-[2,3-di(octanoyloxy)propoxy]-5-oxidanylidene-pentanoic acid; phenoxazin-3-one

Systemtic Name: 5-[2,3-di(octanoyloxy)propoxy]-5-oxidanylidene-pentanoic acid; phenoxazin-3-one Openeye Name: 5-[2,3-di(octanoyloxy)propoxy]-5-oxo-pentanoic acid; phenoxazin-3-one CAS Name: 5-[2,3-bis(1-oxooctoxy)propoxy]-5-oxopentanoic acid; 3-phenoxazinone IUPAC Name: 5-[2,3-di(octanoyloxy)propoxy]-5-oxopentanoic acid; phenoxazin-3-one Traditional Name: 5-(2,3-dicaprylyloxypropoxy)-5-keto-valeric acid; phenoxazin-3-one Formula: C36H49NO10 MolecularWeight: 655.77496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(COC(=O)CCCC(=O)O)OC(=O)CCCCCCC.C1=CC=C2C(=C1)N=C3C=CC(=O)C=C3O2

Isomeric SMILES

CCCCCCCC(=O)OCC(COC(=O)CCCC(=O)O)OC(=O)CCCCCCC.C1=CC=C2C(=C1)N=C3C=CC(=O)C=C3O2

InChI

InChI=1S/C24H42O8.C12H7NO2/c1-3-5-7-9-11-15-22(27)30-18-20(19-31-23(28)17-13-14-21(25)26)32-24(29)16-12-10-8-6-4-2;14-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)13-10/h20H,3-19H2,1-2H3,(H,25,26);1-7H