[3-(4-hydroxyphenyl)-7-oxidanyl-2,3-dihydro-1,4-benzoxazin-4-yl] 2-[6,6,7,7,7-pentakis(fluoranyl)heptyl]decanoate

Systemtic Name: [3-(4-hydroxyphenyl)-7-oxidanyl-2,3-dihydro-1,4-benzoxazin-4-yl] 2-[6,6,7,7,7-pentakis(fluoranyl)heptyl]decanoate Openeye Name: [7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxazin-4-yl] 2-(6,6,7,7,7-pentafluoroheptyl)decanoate CAS Name: 2-(6,6,7,7,7-pentafluoroheptyl)decanoic acid [7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxazin-4-yl] ester IUPAC Name: [7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxazin-4-yl] 2-(6,6,7,7,7-pentafluoroheptyl)decanoate Traditional Name: 2-(6,6,7,7,7-pentafluoroheptyl)capric acid [7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxazin-4-yl] ester Formula: C31H40F5NO5 MolecularWeight: 601.645016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC(C(F)(F)F)(F)F)C(=O)ON1C(COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O

Isomeric SMILES

CCCCCCCCC(CCCCCC(C(F)(F)F)(F)F)C(=O)ON1C(COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C31H40F5NO5/c1-2-3-4-5-6-8-11-23(12-9-7-10-19-30(32,33)31(34,35)36)29(40)42-37-26-18-17-25(39)20-28(26)41-21-27(37)22-13-15-24(38)16-14-22/h13-18,20,23,27,38-39H,2-12,19,21H2,1H3