(E)-12-anthracen-9-ylcarbonyloxyoctadec-9-enoic acid

Systemtic Name: (E)-12-anthracen-9-ylcarbonyloxyoctadec-9-enoic acid Openeye Name: (E)-12-(anthracene-9-carbonyloxy)octadec-9-enoic acid CAS Name: (E)-12-[9-anthracenyl(oxo)methoxy]-9-octadecenoic acid IUPAC Name: (E)-12-(anthracene-9-carbonyloxy)octadec-9-enoic acid Traditional Name: (E)-12-(anthracene-9-carbonyloxy)octadec-9-enoic acid Formula: C33H42O4 MolecularWeight: 502.68418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)O)OC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)O)OC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31

InChI

InChI=1S/C33H42O4/c1-2-3-4-11-20-28(21-12-9-7-5-6-8-10-13-24-31(34)35)37-33(36)32-29-22-16-14-18-26(29)25-27-19-15-17-23-30(27)32/h9,12,14-19,22-23,25,28H,2-8,10-11,13,20-21,24H2,1H3,(H,34,35)/b12-9+