3-[[5-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]methyl]pentanal

Systemtic Name: 3-[[5-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]methyl]pentanal Openeye Name: 3-[(5-hydroxy-9,10-dioxo-2-anthryl)methyl]pentanal CAS Name: 3-[(5-hydroxy-9,10-dioxo-2-anthracenyl)methyl]pentanal IUPAC Name: 3-[(5-hydroxy-9,10-dioxoanthracen-2-yl)methyl]pentanal Traditional Name: 3-[(5-hydroxy-9,10-diketo-2-anthryl)methyl]valeraldehyde Formula: C20H18O4 MolecularWeight: 322.35452

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC=O)CC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC=C3O

Isomeric SMILES

CCC(CC=O)CC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC=C3O

InChI

InChI=1S/C20H18O4/c1-2-12(8-9-21)10-13-6-7-14-16(11-13)19(23)15-4-3-5-17(22)18(15)20(14)24/h3-7,9,11-12,22H,2,8,10H2,1H3