3-(hydroxymethyl)-1,8-bis(oxidanyl)anthracene-9,10-dione ethanoate

Systemtic Name: 3-(hydroxymethyl)-1,8-bis(oxidanyl)anthracene-9,10-dione ethanoate Openeye Name: 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione acetate CAS Name: 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione acetate IUPAC Name: 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione acetate Traditional Name: 1,8-dihydroxy-3-methylol-9,10-anthraquinone acetate Formula: C17H13O7- MolecularWeight: 329.28092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)CO)O

Isomeric SMILES

CC(=O)[O-].C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)CO)O

InChI

InChI=1S/C15H10O5.C2H4O2/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17;1-2(3)4/h1-5,16-18H,6H2;1H3,(H,3,4)/p-1