3-docosoxy-6-methyl-1,8-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 3-docosoxy-6-methyl-1,8-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 3-docosoxy-1,8-dihydroxy-6-methyl-anthracene-9,10-dione CAS Name: 3-docosoxy-1,8-dihydroxy-6-methylanthracene-9,10-dione IUPAC Name: 3-docosoxy-1,8-dihydroxy-6-methylanthracene-9,10-dione Traditional Name: 3-behenyloxy-1,8-dihydroxy-6-methyl-9,10-anthraquinone Formula: C37H54O5 MolecularWeight: 578.82166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCOC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCOC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)C)O

InChI

InChI=1S/C37H54O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-42-29-26-31-35(33(39)27-29)37(41)34-30(36(31)40)24-28(2)25-32(34)38/h24-27,38-39H,3-23H2,1-2H3