2-docosylterephthalic acid

Systemtic Name: 2-docosylterephthalic acid Openeye Name: 2-docosylterephthalic acid CAS Name: 2-docosylterephthalic acid IUPAC Name: 2-docosylterephthalic acid Traditional Name: 2-behenylterephthalic acid Formula: C30H50O4 MolecularWeight: 474.7156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C30H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-25-27(29(31)32)23-24-28(26)30(33)34/h23-25H,2-22H2,1H3,(H,31,32)(H,33,34)