6-anthracen-9-ylcarbonyloxyoctadecanoic acid

Systemtic Name: 6-anthracen-9-ylcarbonyloxyoctadecanoic acid Openeye Name: 6-(anthracene-9-carbonyloxy)octadecanoic acid CAS Name: 6-[9-anthracenyl(oxo)methoxy]octadecanoic acid IUPAC Name: 6-(anthracene-9-carbonyloxy)octadecanoic acid Traditional Name: 6-(anthracene-9-carbonyloxy)stearic acid Formula: C33H44O4 MolecularWeight: 504.70006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCC(=O)O)OC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31

Isomeric SMILES

CCCCCCCCCCCCC(CCCCC(=O)O)OC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31

InChI

InChI=1S/C33H44O4/c1-2-3-4-5-6-7-8-9-10-11-20-28(21-14-17-24-31(34)35)37-33(36)32-29-22-15-12-18-26(29)25-27-19-13-16-23-30(27)32/h12-13,15-16,18-19,22-23,25,28H,2-11,14,17,20-21,24H2,1H3,(H,34,35)