2-(7-hexylhexadecan-7-yl)hexanedioic acid

Systemtic Name: 2-(7-hexylhexadecan-7-yl)hexanedioic acid Openeye Name: 2-(1,1-dihexyldecyl)hexanedioic acid CAS Name: 2-(7-hexylhexadecan-7-yl)hexanedioic acid IUPAC Name: 2-(7-hexylhexadecan-7-yl)hexanedioic acid Traditional Name: 2-(1,1-dihexyldecyl)adipic acid Formula: C28H54O4 MolecularWeight: 454.72596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCC)(CCCCCC)C(CCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCC(CCCCCC)(CCCCCC)C(CCCC(=O)O)C(=O)O

InChI

InChI=1S/C28H54O4/c1-4-7-10-13-14-15-18-24-28(22-16-11-8-5-2,23-17-12-9-6-3)25(27(31)32)20-19-21-26(29)30/h25H,4-24H2,1-3H3,(H,29,30)(H,31,32)