4-(5-dodecylpyrazin-2-yl)-2-octyl-benzoic acid

Systemtic Name: 4-(5-dodecylpyrazin-2-yl)-2-octyl-benzoic acid Openeye Name: 4-(5-dodecylpyrazin-2-yl)-2-octyl-benzoic acid CAS Name: 4-(5-dodecyl-2-pyrazinyl)-2-octylbenzoic acid IUPAC Name: 4-(5-dodecylpyrazin-2-yl)-2-octylbenzoic acid Traditional Name: 4-(5-laurylpyrazin-2-yl)-2-octyl-benzoic acid Formula: C31H48N2O2 MolecularWeight: 480.72502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=NC=C(N=C1)C2=CC(=C(C=C2)C(=O)O)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=NC=C(N=C1)C2=CC(=C(C=C2)C(=O)O)CCCCCCCC

InChI

InChI=1S/C31H48N2O2/c1-3-5-7-9-11-12-13-14-16-18-20-28-24-33-30(25-32-28)27-21-22-29(31(34)35)26(23-27)19-17-15-10-8-6-4-2/h21-25H,3-20H2,1-2H3,(H,34,35)