2-[4-[1-oxidanylidene-3-(3-oxidanylpropyl)isochromen-7-yl]but-3-ynyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[1-oxidanylidene-3-(3-oxidanylpropyl)isochromen-7-yl]but-3-ynyl]isoindole-1,3-dione Openeye Name: 2-[4-[3-(3-hydroxypropyl)-1-oxo-isochromen-7-yl]but-3-ynyl]isoindoline-1,3-dione CAS Name: 2-[4-[3-(3-hydroxypropyl)-1-oxo-2-benzopyran-7-yl]but-3-ynyl]isoindole-1,3-dione IUPAC Name: 2-[4-[3-(3-hydroxypropyl)-1-oxoisochromen-7-yl]but-3-ynyl]isoindole-1,3-dione Traditional Name: 2-[4-[3-(3-hydroxypropyl)-1-keto-isochromen-7-yl]but-3-ynyl]isoindoline-1,3-quinone Formula: C24H19NO5 MolecularWeight: 401.41136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC#CC3=CC4=C(C=C3)C=C(OC4=O)CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC#CC3=CC4=C(C=C3)C=C(OC4=O)CCCO

InChI

InChI=1S/C24H19NO5/c26-13-5-7-18-15-17-11-10-16(14-21(17)24(29)30-18)6-3-4-12-25-22(27)19-8-1-2-9-20(19)23(25)28/h1-2,8-11,14-15,26H,4-5,7,12-13H2