12-anthracen-9-ylcarbonyloctadecanoic acid

Systemtic Name: 12-anthracen-9-ylcarbonyloctadecanoic acid Openeye Name: 12-(anthracene-9-carbonyl)octadecanoic acid CAS Name: 12-[9-anthracenyl(oxo)methyl]octadecanoic acid IUPAC Name: 12-(anthracene-9-carbonyl)octadecanoic acid Traditional Name: 12-(anthracene-9-carbonyl)stearic acid Formula: C33H44O3 MolecularWeight: 488.70066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCC(=O)O)C(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31

Isomeric SMILES

CCCCCCC(CCCCCCCCCCC(=O)O)C(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31

InChI

InChI=1S/C33H44O3/c1-2-3-4-11-18-26(19-12-9-7-5-6-8-10-13-24-31(34)35)33(36)32-29-22-16-14-20-27(29)25-28-21-15-17-23-30(28)32/h14-17,20-23,25-26H,2-13,18-19,24H2,1H3,(H,34,35)