(E)-16-anthracen-9-ylcarbonyloxyhexadec-9-enoic acid

Systemtic Name: (E)-16-anthracen-9-ylcarbonyloxyhexadec-9-enoic acid Openeye Name: (E)-16-(anthracene-9-carbonyloxy)hexadec-9-enoic acid CAS Name: (E)-16-[9-anthracenyl(oxo)methoxy]-9-hexadecenoic acid IUPAC Name: (E)-16-(anthracene-9-carbonyloxy)hexadec-9-enoic acid Traditional Name: (E)-16-(anthracene-9-carbonyloxy)hexadec-9-enoic acid Formula: C31H38O4 MolecularWeight: 474.63102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)OCCCCCCC=CCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)OCCCCCC/C=C/CCCCCCCC(=O)O

InChI

InChI=1S/C31H38O4/c32-29(33)22-12-10-8-6-4-2-1-3-5-7-9-11-17-23-35-31(34)30-27-20-15-13-18-25(27)24-26-19-14-16-21-28(26)30/h1,3,13-16,18-21,24H,2,4-12,17,22-23H2,(H,32,33)/b3-1+