2'-bromanyl-6'-(dibutylamino)-3'-methyl-spiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: 2'-bromanyl-6'-(dibutylamino)-3'-methyl-spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 2'-bromo-6'-(dibutylamino)-3'-methyl-spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 2'-bromo-6'-(dibutylamino)-3'-methyl-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 2'-bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 2'-bromo-6'-(dibutylamino)-3'-methyl-spiro[phthalan-3,9'-xanthene]-1-one Formula: C29H30BrNO3 MolecularWeight: 520.4574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=CC(=C(C=C5O2)C)Br

Isomeric SMILES

CCCCN(CCCC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=CC(=C(C=C5O2)C)Br

InChI

InChI=1S/C29H30BrNO3/c1-4-6-14-31(15-7-5-2)20-12-13-23-27(17-20)33-26-16-19(3)25(30)18-24(26)29(23)22-11-9-8-10-21(22)28(32)34-29/h8-13,16-18H,4-7,14-15H2,1-3H3