3-hexadec-7-ynyl-4-methyl-furan-2,5-dione

Systemtic Name: 3-hexadec-7-ynyl-4-methyl-furan-2,5-dione Openeye Name: 3-hexadec-7-ynyl-4-methyl-furan-2,5-dione CAS Name: 3-hexadec-7-ynyl-4-methylfuran-2,5-dione IUPAC Name: 3-hexadec-7-ynyl-4-methylfuran-2,5-dione Traditional Name: 3-hexadec-7-ynyl-4-methyl-furan-2,5-quinone Formula: C21H32O3 MolecularWeight: 332.47698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CCCCCCCC1=C(C(=O)OC1=O)C

Isomeric SMILES

CCCCCCCCC#CCCCCCCC1=C(C(=O)OC1=O)C

InChI

InChI=1S/C21H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18(2)20(22)24-21(19)23/h3-9,12-17H2,1-2H3