11-heptylhenicosane; hexanedioic acid; octane

Systemtic Name: 11-heptylhenicosane; hexanedioic acid; octane Openeye Name: adipic acid; 11-heptylhenicosane; octane CAS Name: 11-heptylheneicosane; hexanedioic acid; octane IUPAC Name: 11-heptylhenicosane; hexanedioic acid; octane Traditional Name: adipic acid; 11-heptylheneicosane; n-octane Formula: C42H86O4 MolecularWeight: 655.12984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC.CCCCCCCCCCC(CCCCCCC)CCCCCCCCCC.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCC.CCCCCCCCCCC(CCCCCCC)CCCCCCCCCC.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C28H58.C8H18.C6H10O4/c1-4-7-10-13-15-17-20-23-26-28(25-22-19-12-9-6-3)27-24-21-18-16-14-11-8-5-2;1-3-5-7-8-6-4-2;7-5(8)3-1-2-4-6(9)10/h28H,4-27H2,1-3H3;3-8H2,1-2H3;1-4H2,(H,7,8)(H,9,10)