2-butyl-1-but-3-ynoxy-anthracene-9,10-dione

Systemtic Name: 2-butyl-1-but-3-ynoxy-anthracene-9,10-dione Openeye Name: 2-butyl-1-but-3-ynoxy-anthracene-9,10-dione CAS Name: 2-butyl-1-but-3-ynoxyanthracene-9,10-dione IUPAC Name: 2-butyl-1-but-3-ynoxyanthracene-9,10-dione Traditional Name: 2-butyl-1-but-3-ynoxy-9,10-anthraquinone Formula: C22H20O3 MolecularWeight: 332.3924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)OCCC#C

Isomeric SMILES

CCCCC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)OCCC#C

InChI

InChI=1S/C22H20O3/c1-3-5-9-15-12-13-18-19(22(15)25-14-6-4-2)21(24)17-11-8-7-10-16(17)20(18)23/h2,7-8,10-13H,3,5-6,9,14H2,1H3