3-anthracen-9-ylcarbonyloxyoctadecanoic acid

Systemtic Name: 3-anthracen-9-ylcarbonyloxyoctadecanoic acid Openeye Name: 3-(anthracene-9-carbonyloxy)octadecanoic acid CAS Name: 3-[9-anthracenyl(oxo)methoxy]octadecanoic acid IUPAC Name: 3-(anthracene-9-carbonyloxy)octadecanoic acid Traditional Name: 3-(anthracene-9-carbonyloxy)stearic acid Formula: C33H44O4 MolecularWeight: 504.70006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC(=O)O)OC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC(=O)O)OC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31

InChI

InChI=1S/C33H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-28(25-31(34)35)37-33(36)32-29-22-17-15-19-26(29)24-27-20-16-18-23-30(27)32/h15-20,22-24,28H,2-14,21,25H2,1H3,(H,34,35)