3-(hydroxymethyl)-1,8-dioctadecoxy-anthracene-9,10-dione

Systemtic Name: 3-(hydroxymethyl)-1,8-dioctadecoxy-anthracene-9,10-dione Openeye Name: 3-(hydroxymethyl)-1,8-dioctadecoxy-anthracene-9,10-dione CAS Name: 3-(hydroxymethyl)-1,8-dioctadecoxyanthracene-9,10-dione IUPAC Name: 3-(hydroxymethyl)-1,8-dioctadecoxyanthracene-9,10-dione Traditional Name: 3-methylol-1,8-distearyloxy-9,10-anthraquinone Formula: C51H82O5 MolecularWeight: 775.19378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC2=C1C(=O)C3=C(C=C(C=C3C2=O)CO)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC2=C1C(=O)C3=C(C=C(C=C3C2=O)CO)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C51H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-55-46-37-35-36-44-48(46)51(54)49-45(50(44)53)40-43(42-52)41-47(49)56-39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-37,40-41,52H,3-34,38-39,42H2,1-2H3