[2-methyl-4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracen-9-yl] hexadecanoate

Systemtic Name: [2-methyl-4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracen-9-yl] hexadecanoate Openeye Name: (4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl) hexadecanoate CAS Name: hexadecanoic acid (4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl) ester IUPAC Name: (4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl) hexadecanoate Traditional Name: palmitic acid (4,5-dihydroxy-10-keto-2-methyl-9H-anthracen-9-yl) ester Formula: C31H42O5 MolecularWeight: 494.66218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1C2=C(C(=CC=C2)O)C(=O)C3=C(C=C(C=C13)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1C2=C(C(=CC=C2)O)C(=O)C3=C(C=C(C=C13)C)O

InChI

InChI=1S/C31H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-27(34)36-31-23-17-16-18-25(32)28(23)30(35)29-24(31)20-22(2)21-26(29)33/h16-18,20-21,31-33H,3-15,19H2,1-2H3