tert-butyl 2-[5-methoxy-4-oxidanyl-9,10-bis(oxidanylidene)-3-(3-oxidanylidenepentanoyl)anthracen-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[5-methoxy-4-oxidanyl-9,10-bis(oxidanylidene)-3-(3-oxidanylidenepentanoyl)anthracen-2-yl]ethanoate Openeye Name: tert-butyl 2-[4-hydroxy-5-methoxy-9,10-dioxo-3-(3-oxopentanoyl)-2-anthryl]acetate CAS Name: 2-[3-(1,3-dioxopentyl)-4-hydroxy-5-methoxy-9,10-dioxo-2-anthracenyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-hydroxy-5-methoxy-9,10-dioxo-3-(3-oxopentanoyl)anthracen-2-yl]acetate Traditional Name: 2-[4-hydroxy-9,10-diketo-3-(3-ketopentanoyl)-5-methoxy-2-anthryl]acetic acid tert-butyl ester Formula: C26H26O8 MolecularWeight: 466.47984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(=O)C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=CC=C3OC)CC(=O)OC(C)(C)C

Isomeric SMILES

CCC(=O)CC(=O)C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=CC=C3OC)CC(=O)OC(C)(C)C

InChI

InChI=1S/C26H26O8/c1-6-14(27)12-17(28)20-13(11-19(29)34-26(2,3)4)10-16-22(24(20)31)25(32)21-15(23(16)30)8-7-9-18(21)33-5/h7-10,31H,6,11-12H2,1-5H3