3-hexan-3-yloxy-2-triphenylen-2-yl-benzoic acid

Systemtic Name: 3-hexan-3-yloxy-2-triphenylen-2-yl-benzoic acid Openeye Name: 3-(1-ethylbutoxy)-2-triphenylen-2-yl-benzoic acid CAS Name: 3-hexan-3-yloxy-2-(2-triphenylenyl)benzoic acid IUPAC Name: 3-hexan-3-yloxy-2-triphenylen-2-ylbenzoic acid Traditional Name: 3-(1-ethylbutoxy)-2-triphenylen-2-yl-benzoic acid Formula: C31H28O3 MolecularWeight: 448.55222

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)OC1=CC=CC(=C1C2=CC3=C(C=C2)C4=CC=CC=C4C5=CC=CC=C53)C(=O)O

Isomeric SMILES

CCCC(CC)OC1=CC=CC(=C1C2=CC3=C(C=C2)C4=CC=CC=C4C5=CC=CC=C53)C(=O)O

InChI

InChI=1S/C31H28O3/c1-3-10-21(4-2)34-29-16-9-15-27(31(32)33)30(29)20-17-18-26-24-13-6-5-11-22(24)23-12-7-8-14-25(23)28(26)19-20/h5-9,11-19,21H,3-4,10H2,1-2H3,(H,32,33)