3-methyl-4-[(15S)-15-oxidanylhexadecyl]furan-2,5-dione

Systemtic Name: 3-methyl-4-[(15S)-15-oxidanylhexadecyl]furan-2,5-dione Openeye Name: 3-[(15S)-15-hydroxyhexadecyl]-4-methyl-furan-2,5-dione CAS Name: 3-[(15S)-15-hydroxyhexadecyl]-4-methylfuran-2,5-dione IUPAC Name: 3-[(15S)-15-hydroxyhexadecyl]-4-methylfuran-2,5-dione Traditional Name: 3-[(15S)-15-hydroxyhexadecyl]-4-methyl-furan-2,5-quinone Formula: C21H36O4 MolecularWeight: 352.50814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC1=O)CCCCCCCCCCCCCCC(C)O

Isomeric SMILES

CC1=C(C(=O)OC1=O)CCCCCCCCCCCCCC[C@H](C)O

InChI

InChI=1S/C21H36O4/c1-17(22)15-13-11-9-7-5-3-4-6-8-10-12-14-16-19-18(2)20(23)25-21(19)24/h17,22H,3-16H2,1-2H3/t17-/m0/s1