benzoic acid; 4-phenylazanylspiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: benzoic acid; 4-phenylazanylspiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 4-anilinospiro[isobenzofuran-3,9'-xanthene]-1-one; benzoic acid CAS Name: 4-anilino-1-spiro[isobenzofuran-3,9'-xanthene]one; benzoic acid IUPAC Name: 4-anilinospiro[2-benzofuran-3,9'-xanthene]-1-one; benzoic acid Traditional Name: 4-anilinospiro[phthalan-3,9'-xanthene]-1-one; benzoic acid Formula: C33H23NO5 MolecularWeight: 513.53942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)NC2=CC=CC3=C2C4(C5=CC=CC=C5OC6=CC=CC=C64)OC3=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)NC2=CC=CC3=C2C4(C5=CC=CC=C5OC6=CC=CC=C64)OC3=O

InChI

InChI=1S/C26H17NO3.C7H6O2/c28-25-18-11-8-14-21(27-17-9-2-1-3-10-17)24(18)26(30-25)19-12-4-6-15-22(19)29-23-16-7-5-13-20(23)26;8-7(9)6-4-2-1-3-5-6/h1-16,27H;1-5H,(H,8,9)