7,7-dimethyloctanoic acid; 2,2-diphenyloctadecanoate

Systemtic Name: 7,7-dimethyloctanoic acid; 2,2-diphenyloctadecanoate Openeye Name: 7,7-dimethyloctanoic acid; 2,2-diphenyloctadecanoate CAS Name: 7,7-dimethyloctanoic acid; 2,2-diphenyloctadecanoate IUPAC Name: 7,7-dimethyloctanoic acid; 2,2-diphenyloctadecanoate Traditional Name: 7,7-dimethylcaprylic acid; 2,2-diphenylstearate Formula: C40H63O4- MolecularWeight: 607.92582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)[O-].CC(C)(C)CCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)[O-].CC(C)(C)CCCCCC(=O)O

InChI

InChI=1S/C30H44O2.C10H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-30(29(31)32,27-22-17-15-18-23-27)28-24-19-16-20-25-28;1-10(2,3)8-6-4-5-7-9(11)12/h15-20,22-25H,2-14,21,26H2,1H3,(H,31,32);4-8H2,1-3H3,(H,11,12)/p-1