2-hexadecyl-3-octyl-butanedioic acid

Systemtic Name: 2-hexadecyl-3-octyl-butanedioic acid Openeye Name: 2-hexadecyl-3-octyl-butanedioic acid CAS Name: 2-hexadecyl-3-octylbutanedioic acid IUPAC Name: 2-hexadecyl-3-octylbutanedioic acid Traditional Name: 2-cetyl-3-octyl-succinic acid Formula: C28H54O4 MolecularWeight: 454.72596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(CCCCCCCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(CCCCCCCC)C(=O)O)C(=O)O

InChI

InChI=1S/C28H54O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26(28(31)32)25(27(29)30)23-21-19-10-8-6-4-2/h25-26H,3-24H2,1-2H3,(H,29,30)(H,31,32)