2-butyl-1-sulfanyl-anthracene-9,10-dione

Systemtic Name: 2-butyl-1-sulfanyl-anthracene-9,10-dione Openeye Name: 2-butyl-1-sulfanyl-anthracene-9,10-dione CAS Name: 2-butyl-1-mercaptoanthracene-9,10-dione IUPAC Name: 2-butyl-1-sulfanylanthracene-9,10-dione Traditional Name: 2-butyl-1-mercapto-9,10-anthraquinone Formula: C18H16O2S MolecularWeight: 296.38344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)S

Isomeric SMILES

CCCCC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)S

InChI

InChI=1S/C18H16O2S/c1-2-3-6-11-9-10-14-15(18(11)21)17(20)13-8-5-4-7-12(13)16(14)19/h4-5,7-10,21H,2-3,6H2,1H3