2-azanylethyl (3'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-4'-yl) hydrogen phosphate

Systemtic Name: 2-azanylethyl (3'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-4'-yl) hydrogen phosphate Openeye Name: 2-aminoethyl (3'-hydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-4'-yl) hydrogen phosphate CAS Name: 2-aminoethyl (3'-hydroxy-3-oxo-4'-spiro[isobenzofuran-1,9'-xanthene]yl) hydrogen phosphate IUPAC Name: 2-aminoethyl (3'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-yl) hydrogen phosphate Traditional Name: 2-aminoethyl (3'-hydroxy-3-keto-spiro[phthalan-1,9'-xanthene]-4'-yl) hydrogen phosphate Formula: C22H18NO8P MolecularWeight: 455.353981

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)OP(=O)(O)OCCN)OC5=CC=CC=C35

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)OP(=O)(O)OCCN)OC5=CC=CC=C35

InChI

InChI=1S/C22H18NO8P/c23-11-12-28-32(26,27)31-20-17(24)10-9-16-19(20)29-18-8-4-3-7-15(18)22(16)14-6-2-1-5-13(14)21(25)30-22/h1-10,24H,11-12,23H2,(H,26,27)