7-hexadecyl-2,5,8-trimethyl-1,4-dioxonane-7-carboxylic acid

Systemtic Name: 7-hexadecyl-2,5,8-trimethyl-1,4-dioxonane-7-carboxylic acid Openeye Name: 7-hexadecyl-2,5,8-trimethyl-1,4-dioxonane-7-carboxylic acid CAS Name: 7-hexadecyl-2,5,8-trimethyl-1,4-dioxonane-7-carboxylic acid IUPAC Name: 7-hexadecyl-2,5,8-trimethyl-1,4-dioxonane-7-carboxylic acid Traditional Name: 7-cetyl-2,5,8-trimethyl-1,4-dioxonane-7-carboxylic acid Formula: C27H52O4 MolecularWeight: 440.69938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1(CC(OCC(OCC1C)C)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1(CC(OCC(OCC1C)C)C)C(=O)O

InChI

InChI=1S/C27H52O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(26(28)29)20-24(3)31-22-25(4)30-21-23(27)2/h23-25H,5-22H2,1-4H3,(H,28,29)