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

Systemtic Name: 7-decyl-2,5,8-trimethyl-1,4-dioxonane-7-carboxylic acid Openeye Name: 7-decyl-2,5,8-trimethyl-1,4-dioxonane-7-carboxylic acid CAS Name: 7-decyl-2,5,8-trimethyl-1,4-dioxonane-7-carboxylic acid IUPAC Name: 7-decyl-2,5,8-trimethyl-1,4-dioxonane-7-carboxylic acid Traditional Name: 7-decyl-2,5,8-trimethyl-1,4-dioxonane-7-carboxylic acid Formula: C21H40O4 MolecularWeight: 356.5399

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1(CC(OCC(OCC1C)C)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCC1(CC(OCC(OCC1C)C)C)C(=O)O

InChI

InChI=1S/C21H40O4/c1-5-6-7-8-9-10-11-12-13-21(20(22)23)14-18(3)25-16-19(4)24-15-17(21)2/h17-19H,5-16H2,1-4H3,(H,22,23)