2-(4-butylphenyl)-2-phenylsulfanyl-indene-1,3-dione

Systemtic Name: 2-(4-butylphenyl)-2-phenylsulfanyl-indene-1,3-dione Openeye Name: 2-(4-butylphenyl)-2-phenylsulfanyl-indane-1,3-dione CAS Name: 2-(4-butylphenyl)-2-(phenylthio)indene-1,3-dione IUPAC Name: 2-(4-butylphenyl)-2-phenylsulfanylindene-1,3-dione Traditional Name: 2-(4-butylphenyl)-2-(phenylthio)indane-1,3-quinone Formula: C25H22O2S MolecularWeight: 386.50598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)SC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)SC4=CC=CC=C4

InChI

InChI=1S/C25H22O2S/c1-2-3-9-18-14-16-19(17-15-18)25(28-20-10-5-4-6-11-20)23(26)21-12-7-8-13-22(21)24(25)27/h4-8,10-17H,2-3,9H2,1H3