(5-formamido-3'-oxidanyl-1-oxidanylidene-spiro[4H-2-benzofuran-3,9'-xanthene]-5-yl) hexanoate

Systemtic Name: (5-formamido-3'-oxidanyl-1-oxidanylidene-spiro[4H-2-benzofuran-3,9'-xanthene]-5-yl) hexanoate Openeye Name: (5-formamido-3'-hydroxy-1-oxo-spiro[4H-isobenzofuran-3,9'-xanthene]-5-yl) hexanoate CAS Name: hexanoic acid (5-formamido-3'-hydroxy-1-oxo-5-spiro[4H-isobenzofuran-3,9'-xanthene]yl) ester IUPAC Name: (5-formamido-3'-hydroxy-1-oxospiro[4H-2-benzofuran-3,9'-xanthene]-5-yl) hexanoate Traditional Name: hexanoic acid (5-formamido-3'-hydroxy-1-keto-spiro[4H-isobenzofuran-3,9'-xanthene]-5-yl) ester Formula: C27H25NO7 MolecularWeight: 475.4899

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1(CC2=C(C=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=CC=CC=C35)NC=O

Isomeric SMILES

CCCCCC(=O)OC1(CC2=C(C=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=CC=CC=C35)NC=O

InChI

InChI=1S/C27H25NO7/c1-2-3-4-9-24(31)34-26(28-16-29)13-12-18-21(15-26)27(35-25(18)32)19-7-5-6-8-22(19)33-23-14-17(30)10-11-20(23)27/h5-8,10-14,16,30H,2-4,9,15H2,1H3,(H,28,29)