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

Systemtic Name: 5-(diethylamino)-7-(2-phenylazanylpentadecan-3-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 7-[1-(1-anilinoethyl)tridecyl]-5-(diethylamino)spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 7-(2-anilinopentadecan-3-yl)-5-(diethylamino)-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 7-(2-anilinopentadecan-3-yl)-5-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 7-[1-(1-anilinoethyl)tridecyl]-5-(diethylamino)spiro[phthalan-3,9'-xanthene]-1-one Formula: C45H56N2O3 MolecularWeight: 672.93774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(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

CCCCCCCCCCCCC(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/C45H56N2O3/c1-5-8-9-10-11-12-13-14-15-19-26-36(33(4)46-34-24-17-16-18-25-34)37-31-35(47(6-2)7-3)32-40-43(37)44(48)50-45(40)38-27-20-22-29-41(38)49-42-30-23-21-28-39(42)45/h16-18,20-25,27-33,36,46H,5-15,19,26H2,1-4H3