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

Systemtic Name: 2-[3-(4-hydroxyphenyl)-7-oxidanyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-[6,6,7,7,7-pentakis(fluoranyl)heptyl]decanoic acid Openeye Name: 2-[7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(6,6,7,7,7-pentafluoroheptyl)decanoic acid CAS Name: 2-[7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(6,6,7,7,7-pentafluoroheptyl)decanoic acid IUPAC Name: 2-[7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(6,6,7,7,7-pentafluoroheptyl)decanoic acid Traditional Name: 2-[7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(6,6,7,7,7-pentafluoroheptyl)capric acid 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)O)N1C(COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O

Isomeric SMILES

CCCCCCCCC(CCCCCC(C(F)(F)F)(F)F)(C(=O)O)N1C(COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C31H40F5NO5/c1-2-3-4-5-6-8-17-29(28(40)41,18-9-7-10-19-30(32,33)31(34,35)36)37-25-16-15-24(39)20-27(25)42-21-26(37)22-11-13-23(38)14-12-22/h11-16,20,26,38-39H,2-10,17-19,21H2,1H3,(H,40,41)