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

Systemtic Name: 5-(2,3-didodecoxypropoxy)-5-oxidanylidene-pentanoic acid; phenoxazin-3-one Openeye Name: 5-(2,3-didodecoxypropoxy)-5-oxo-pentanoic acid; phenoxazin-3-one CAS Name: 5-(2,3-didodecoxypropoxy)-5-oxopentanoic acid; 3-phenoxazinone IUPAC Name: 5-(2,3-didodecoxypropoxy)-5-oxopentanoic acid; phenoxazin-3-one Traditional Name: 5-(2,3-dilauryloxypropoxy)-5-keto-valeric acid; phenoxazin-3-one Formula: C44H69NO8 MolecularWeight: 740.02056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCC(COC(=O)CCCC(=O)O)OCCCCCCCCCCCC.C1=CC=C2C(=C1)N=C3C=CC(=O)C=C3O2

Isomeric SMILES

CCCCCCCCCCCCOCC(COC(=O)CCCC(=O)O)OCCCCCCCCCCCC.C1=CC=C2C(=C1)N=C3C=CC(=O)C=C3O2

InChI

InChI=1S/C32H62O6.C12H7NO2/c1-3-5-7-9-11-13-15-17-19-21-26-36-28-30(29-38-32(35)25-23-24-31(33)34)37-27-22-20-18-16-14-12-10-8-6-4-2;14-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)13-10/h30H,3-29H2,1-2H3,(H,33,34);1-7H