[2-[2-(4-hexyl-3-oxidanylidene-1,4-benzoxazin-2-yl)ethoxy]phenyl]methylphosphonic acid

Systemtic Name: [2-[2-(4-hexyl-3-oxidanylidene-1,4-benzoxazin-2-yl)ethoxy]phenyl]methylphosphonic acid Openeye Name: [2-[2-(4-hexyl-3-oxo-1,4-benzoxazin-2-yl)ethoxy]phenyl]methylphosphonic acid CAS Name: [2-[2-(4-hexyl-3-oxo-1,4-benzoxazin-2-yl)ethoxy]phenyl]methylphosphonic acid IUPAC Name: [2-[2-(4-hexyl-3-oxo-1,4-benzoxazin-2-yl)ethoxy]phenyl]methylphosphonic acid Traditional Name: [2-[2-(4-hexyl-3-keto-1,4-benzoxazin-2-yl)ethoxy]benzyl]phosphonic acid Formula: C23H30NO6P MolecularWeight: 447.461161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2OC(C1=O)CCOC3=CC=CC=C3CP(=O)(O)O

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2OC(C1=O)CCOC3=CC=CC=C3CP(=O)(O)O

InChI

InChI=1S/C23H30NO6P/c1-2-3-4-9-15-24-19-11-6-8-13-21(19)30-22(23(24)25)14-16-29-20-12-7-5-10-18(20)17-31(26,27)28/h5-8,10-13,22H,2-4,9,14-17H2,1H3,(H2,26,27,28)