2-hexadecyl-6-octadecoxycarbonyl-benzoic acid

Systemtic Name: 2-hexadecyl-6-octadecoxycarbonyl-benzoic acid Openeye Name: 2-hexadecyl-6-octadecoxycarbonyl-benzoic acid CAS Name: 2-hexadecyl-6-[octadecoxy(oxo)methyl]benzoic acid IUPAC Name: 2-hexadecyl-6-octadecoxycarbonylbenzoic acid Traditional Name: 2-cetyl-6-stearyloxycarbonyl-benzoic acid Formula: C42H74O4 MolecularWeight: 643.03456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=C(C(=CC=C1)CCCCCCCCCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=C(C(=CC=C1)CCCCCCCCCCCCCCCC)C(=O)O

InChI

InChI=1S/C42H74O4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37-46-42(45)39-36-33-35-38(40(39)41(43)44)34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h33,35-36H,3-32,34,37H2,1-2H3,(H,43,44)