5-(diethylamino)-7-(2-phenylazanyloctadecan-3-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: 5-(diethylamino)-7-(2-phenylazanyloctadecan-3-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 7-[1-(1-anilinoethyl)hexadecyl]-5-(diethylamino)spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 7-(2-anilinooctadecan-3-yl)-5-(diethylamino)-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 7-(2-anilinooctadecan-3-yl)-5-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 7-[1-(1-anilinoethyl)hexadecyl]-5-(diethylamino)spiro[phthalan-3,9'-xanthene]-1-one Formula: C48H62N2O3 MolecularWeight: 715.01748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C1=C2C(=CC(=C1)N(CC)CC)C3(C4=CC=CC=C4OC5=CC=CC=C53)OC2=O)C(C)NC6=CC=CC=C6

Isomeric SMILES

CCCCCCCCCCCCCCCC(C1=C2C(=CC(=C1)N(CC)CC)C3(C4=CC=CC=C4OC5=CC=CC=C53)OC2=O)C(C)NC6=CC=CC=C6

InChI

InChI=1S/C48H62N2O3/c1-5-8-9-10-11-12-13-14-15-16-17-18-22-29-39(36(4)49-37-27-20-19-21-28-37)40-34-38(50(6-2)7-3)35-43-46(40)47(51)53-48(43)41-30-23-25-32-44(41)52-45-33-26-24-31-42(45)48/h19-21,23-28,30-36,39,49H,5-18,22,29H2,1-4H3