2-methyl-4,4,6-triphenyl-octanoic acid

Systemtic Name: 2-methyl-4,4,6-triphenyl-octanoic acid Openeye Name: 2-methyl-4,4,6-triphenyl-octanoic acid CAS Name: 2-methyl-4,4,6-triphenyloctanoic acid IUPAC Name: 2-methyl-4,4,6-triphenyloctanoic acid Traditional Name: 2-methyl-4,4,6-triphenyl-caprylic acid Formula: C27H30O2 MolecularWeight: 386.5259

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(C)C(=O)O)(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(CC(CC(C)C(=O)O)(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H30O2/c1-3-22(23-13-7-4-8-14-23)20-27(19-21(2)26(28)29,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,21-22H,3,19-20H2,1-2H3,(H,28,29)