5-(2,3-didodecoxypropoxy)-5-oxidanylidene-pentanoic acid; 6-methylphenoxazin-3-one

Systemtic Name: 5-(2,3-didodecoxypropoxy)-5-oxidanylidene-pentanoic acid; 6-methylphenoxazin-3-one Openeye Name: 5-(2,3-didodecoxypropoxy)-5-oxo-pentanoic acid; 6-methylphenoxazin-3-one CAS Name: 5-(2,3-didodecoxypropoxy)-5-oxopentanoic acid; 6-methyl-3-phenoxazinone IUPAC Name: 5-(2,3-didodecoxypropoxy)-5-oxopentanoic acid; 6-methylphenoxazin-3-one Traditional Name: 5-(2,3-dilauryloxypropoxy)-5-keto-valeric acid; 6-methylphenoxazin-3-one Formula: C45H71NO8 MolecularWeight: 754.04714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCC(COC(=O)CCCC(=O)O)OCCCCCCCCCCCC.CC1=C2C(=CC=C1)N=C3C=CC(=O)C=C3O2

Isomeric SMILES

CCCCCCCCCCCCOCC(COC(=O)CCCC(=O)O)OCCCCCCCCCCCC.CC1=C2C(=CC=C1)N=C3C=CC(=O)C=C3O2

InChI

InChI=1S/C32H62O6.C13H9NO2/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;1-8-3-2-4-11-13(8)16-12-7-9(15)5-6-10(12)14-11/h30H,3-29H2,1-2H3,(H,33,34);2-7H,1H3