anthracene-9,10-dione hydrate

Systemtic Name: anthracene-9,10-dione hydrate Openeye Name: anthracene-9,10-dione hydrate CAS Name: anthracene-9,10-dione hydrate IUPAC Name: anthracene-9,10-dione hydrate Traditional Name: 9,10-anthraquinone hydrate Formula: C28H18O5 MolecularWeight: 434.43952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O.C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O.O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O.C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O.O

InChI

InChI=1S/2C14H8O2.H2O/c2*15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;/h2*1-8H;1H2