octan-2-yl 6-(3-fluoranyl-4-undecyl-phenyl)carbonyloxynaphthalene-2-carboxylate

Systemtic Name: octan-2-yl 6-(3-fluoranyl-4-undecyl-phenyl)carbonyloxynaphthalene-2-carboxylate Openeye Name: 1-methylheptyl 6-(3-fluoro-4-undecyl-benzoyl)oxynaphthalene-2-carboxylate CAS Name: 6-[(3-fluoro-4-undecylphenyl)-oxomethoxy]-2-naphthalenecarboxylic acid octan-2-yl ester IUPAC Name: octan-2-yl 6-(3-fluoro-4-undecylbenzoyl)oxynaphthalene-2-carboxylate Traditional Name: 6-(3-fluoro-4-undecyl-benzoyl)oxynaphthalene-2-carboxylic acid 1-methylheptyl ester Formula: C37H49FO4 MolecularWeight: 576.780963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=O)OC(C)CCCCCC)F

Isomeric SMILES

CCCCCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=O)OC(C)CCCCCC)F

InChI

InChI=1S/C37H49FO4/c1-4-6-8-10-11-12-13-14-16-18-29-19-21-33(27-35(29)38)37(40)42-34-24-23-30-25-32(22-20-31(30)26-34)36(39)41-28(3)17-15-9-7-5-2/h19-28H,4-18H2,1-3H3