2,4-bis(oxidanyl)heptadec-16-enyl ethanoate; 2,4-bis(oxidanyl)heptadec-16-ynyl ethanoate

Systemtic Name: 2,4-bis(oxidanyl)heptadec-16-enyl ethanoate; 2,4-bis(oxidanyl)heptadec-16-ynyl ethanoate Openeye Name: 2,4-dihydroxyheptadec-16-enyl acetate; 2,4-dihydroxyheptadec-16-ynyl acetate CAS Name: acetic acid 2,4-dihydroxyheptadec-16-enyl ester; acetic acid 2,4-dihydroxyheptadec-16-ynyl ester IUPAC Name: 2,4-dihydroxyheptadec-16-enyl acetate; 2,4-dihydroxyheptadec-16-ynyl acetate Traditional Name: acetic acid 2,4-dihydroxyheptadec-16-enyl ester; acetic acid 2,4-dihydroxyheptadec-16-ynyl ester Formula: C38H70O8 MolecularWeight: 654.9576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CC(CCCCCCCCCCCC=C)O)O.CC(=O)OCC(CC(CCCCCCCCCCCC#C)O)O

Isomeric SMILES

CC(=O)OCC(CC(CCCCCCCCCCCC=C)O)O.CC(=O)OCC(CC(CCCCCCCCCCCC#C)O)O

InChI

InChI=1S/C19H36O4.C19H34O4/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-18(21)15-19(22)16-23-17(2)20/h3,18-19,21-22H,1,4-16H2,2H3;1,18-19,21-22H,4-16H2,2H3