(2-octan-3-yl-4-phenyl-phenyl)-phenyl-methanone carbonate

Systemtic Name: (2-octan-3-yl-4-phenyl-phenyl)-phenyl-methanone carbonate Openeye Name: [2-(1-ethylhexyl)-4-phenyl-phenyl]-phenyl-methanone carbonate CAS Name: (2-octan-3-yl-4-phenylphenyl)-phenylmethanone carbonate IUPAC Name: (2-octan-3-yl-4-phenylphenyl)-phenylmethanone carbonate Traditional Name: [2-(1-ethylhexyl)-4-phenyl-phenyl]-phenyl-methanone carbonate Formula: C28H30O4-2 MolecularWeight: 430.5354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=C(C=CC(=C1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3.C(=O)([O-])[O-]

Isomeric SMILES

CCCCCC(CC)C1=C(C=CC(=C1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3.C(=O)([O-])[O-]

InChI

InChI=1S/C27H30O.CH2O3/c1-3-5-8-13-21(4-2)26-20-24(22-14-9-6-10-15-22)18-19-25(26)27(28)23-16-11-7-12-17-23;2-1(3)4/h6-7,9-12,14-21H,3-5,8,13H2,1-2H3;(H2,2,3,4)/p-2