5-[2,3-bis[(E)-octadec-9-enoxy]propoxy]-5-oxidanylidene-pentanoic acid; phenoxazin-3-one

Systemtic Name: 5-[2,3-bis[(E)-octadec-9-enoxy]propoxy]-5-oxidanylidene-pentanoic acid; phenoxazin-3-one Openeye Name: 5-[2,3-bis[(E)-octadec-9-enoxy]propoxy]-5-oxo-pentanoic acid; phenoxazin-3-one CAS Name: 5-[2,3-bis[(E)-octadec-9-enoxy]propoxy]-5-oxopentanoic acid; 3-phenoxazinone IUPAC Name: 5-[2,3-bis[(E)-octadec-9-enoxy]propoxy]-5-oxopentanoic acid; phenoxazin-3-one Traditional Name: 5-[2,3-bis[(E)-octadec-9-enoxy]propoxy]-5-keto-valeric acid; phenoxazin-3-one Formula: C56H89NO8 MolecularWeight: 904.30776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCC(COC(=O)CCCC(=O)O)OCCCCCCCCC=CCCCCCCCC.C1=CC=C2C(=C1)N=C3C=CC(=O)C=C3O2

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOCC(COC(=O)CCCC(=O)O)OCCCCCCCC/C=C/CCCCCCCC.C1=CC=C2C(=C1)N=C3C=CC(=O)C=C3O2

InChI

InChI=1S/C44H82O6.C12H7NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-48-40-42(41-50-44(47)37-35-36-43(45)46)49-39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;14-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)13-10/h17-20,42H,3-16,21-41H2,1-2H3,(H,45,46);1-7H/b19-17+,20-18+;