2-[4-(4-tert-butyl-2-oxidanylidene-3H-1-benzofuran-3-yl)phenoxy]ethyl octadecanoate

Systemtic Name: 2-[4-(4-tert-butyl-2-oxidanylidene-3H-1-benzofuran-3-yl)phenoxy]ethyl octadecanoate Openeye Name: 2-[4-(4-tert-butyl-2-oxo-3H-benzofuran-3-yl)phenoxy]ethyl octadecanoate CAS Name: octadecanoic acid 2-[4-(4-tert-butyl-2-oxo-3H-benzofuran-3-yl)phenoxy]ethyl ester IUPAC Name: 2-[4-(4-tert-butyl-2-oxo-3H-1-benzofuran-3-yl)phenoxy]ethyl octadecanoate Traditional Name: stearic acid 2-[4-(4-tert-butyl-2-keto-coumaran-3-yl)phenoxy]ethyl ester Formula: C38H56O5 MolecularWeight: 592.84824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCCOC1=CC=C(C=C1)C2C3=C(C=CC=C3OC2=O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCOC1=CC=C(C=C1)C2C3=C(C=CC=C3OC2=O)C(C)(C)C

InChI

InChI=1S/C38H56O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-34(39)42-29-28-41-31-26-24-30(25-27-31)35-36-32(38(2,3)4)21-20-22-33(36)43-37(35)40/h20-22,24-27,35H,5-19,23,28-29H2,1-4H3