9-chloranyl-9-octyl-icosane; hexanedioic acid

Systemtic Name: 9-chloranyl-9-octyl-icosane; hexanedioic acid Openeye Name: adipic acid; 9-chloro-9-octyl-icosane CAS Name: 9-chloro-9-octyleicosane; hexanedioic acid IUPAC Name: 9-chloro-9-octylicosane; hexanedioic acid Traditional Name: adipic acid; 9-chloro-9-octyl-eicosane Formula: C34H67ClO4 MolecularWeight: 575.34638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCCCCCC)(CCCCCCCC)Cl.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCC(CCCCCCCC)(CCCCCCCC)Cl.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C28H57Cl.C6H10O4/c1-4-7-10-13-16-17-18-21-24-27-28(29,25-22-19-14-11-8-5-2)26-23-20-15-12-9-6-3;7-5(8)3-1-2-4-6(9)10/h4-27H2,1-3H3;1-4H2,(H,7,8)(H,9,10)