2-butyl-9-heptyl-decanedioic acid

Systemtic Name: 2-butyl-9-heptyl-decanedioic acid Openeye Name: 2-butyl-9-heptyl-decanedioic acid CAS Name: 2-butyl-9-heptyldecanedioic acid IUPAC Name: 2-butyl-9-heptyldecanedioic acid Traditional Name: 2-butyl-9-heptyl-sebacic acid Formula: C21H40O4 MolecularWeight: 356.5399

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCCCCCC(CCCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCC(CCCCCCC(CCCC)C(=O)O)C(=O)O

InChI

InChI=1S/C21H40O4/c1-3-5-7-8-11-16-19(21(24)25)17-13-10-9-12-15-18(20(22)23)14-6-4-2/h18-19H,3-17H2,1-2H3,(H,22,23)(H,24,25)