4-(4-hexylphenyl)carbonyloxy-2-octyl-benzoic acid

Systemtic Name: 4-(4-hexylphenyl)carbonyloxy-2-octyl-benzoic acid Openeye Name: 4-(4-hexylbenzoyl)oxy-2-octyl-benzoic acid CAS Name: 4-[(4-hexylphenyl)-oxomethoxy]-2-octylbenzoic acid IUPAC Name: 4-(4-hexylbenzoyl)oxy-2-octylbenzoic acid Traditional Name: 4-(4-hexylbenzoyl)oxy-2-octyl-benzoic acid Formula: C28H38O4 MolecularWeight: 438.59892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)CCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)CCCCCC)C(=O)O

InChI

InChI=1S/C28H38O4/c1-3-5-7-9-10-12-14-24-21-25(19-20-26(24)27(29)30)32-28(31)23-17-15-22(16-18-23)13-11-8-6-4-2/h15-21H,3-14H2,1-2H3,(H,29,30)