methyl 2-[1,8-bis(oxidanyl)-9-oxidanylidene-10H-anthracen-2-yl]-4-phenyl-butanoate

Systemtic Name: methyl 2-[1,8-bis(oxidanyl)-9-oxidanylidene-10H-anthracen-2-yl]-4-phenyl-butanoate Openeye Name: methyl 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-4-phenyl-butanoate CAS Name: 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-4-phenylbutanoate Traditional Name: 2-(1,8-dihydroxy-9-keto-10H-anthracen-2-yl)-4-phenyl-butyric acid methyl ester Formula: C25H22O5 MolecularWeight: 402.43918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC1=CC=CC=C1)C2=C(C3=C(CC4=C(C3=O)C(=CC=C4)O)C=C2)O

Isomeric SMILES

COC(=O)C(CCC1=CC=CC=C1)C2=C(C3=C(CC4=C(C3=O)C(=CC=C4)O)C=C2)O

InChI

InChI=1S/C25H22O5/c1-30-25(29)19(12-10-15-6-3-2-4-7-15)18-13-11-17-14-16-8-5-9-20(26)21(16)24(28)22(17)23(18)27/h2-9,11,13,19,26-27H,10,12,14H2,1H3