2-azanyl-3,4,5-tris[(E)-octadec-9-enyl]benzoic acid

Systemtic Name: 2-azanyl-3,4,5-tris[(E)-octadec-9-enyl]benzoic acid Openeye Name: 2-amino-3,4,5-tris[(E)-octadec-9-enyl]benzoic acid CAS Name: 2-amino-3,4,5-tris[(E)-octadec-9-enyl]benzoic acid IUPAC Name: 2-amino-3,4,5-tris[(E)-octadec-9-enyl]benzoic acid Traditional Name: 2-amino-3,4,5-tris[(E)-octadec-9-enyl]benzoic acid Formula: C61H109NO2 MolecularWeight: 888.52366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC1=C(C(=C(C(=C1)C(=O)O)N)CCCCCCCCC=CCCCCCCCC)CCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC1=C(C(=C(C(=C1)C(=O)O)N)CCCCCCCC/C=C/CCCCCCCC)CCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C61H109NO2/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-56-55-59(61(63)64)60(62)58(54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)57(56)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,55H,4-24,31-54,62H2,1-3H3,(H,63,64)/b28-25+,29-26+,30-27+