5-(3-methylsulfanylphenyl)-2,2-bis(oxidanyl)indene-1,3-dione

Systemtic Name: 5-(3-methylsulfanylphenyl)-2,2-bis(oxidanyl)indene-1,3-dione Openeye Name: 2,2-dihydroxy-5-(3-methylsulfanylphenyl)indane-1,3-dione CAS Name: 2,2-dihydroxy-5-[3-(methylthio)phenyl]indene-1,3-dione IUPAC Name: 2,2-dihydroxy-5-(3-methylsulfanylphenyl)indene-1,3-dione Traditional Name: 2,2-dihydroxy-5-[3-(methylthio)phenyl]indane-1,3-quinone Formula: C16H12O4S MolecularWeight: 300.32908

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C2=CC3=C(C=C2)C(=O)C(C3=O)(O)O

Isomeric SMILES

CSC1=CC=CC(=C1)C2=CC3=C(C=C2)C(=O)C(C3=O)(O)O

InChI

InChI=1S/C16H12O4S/c1-21-11-4-2-3-9(7-11)10-5-6-12-13(8-10)15(18)16(19,20)14(12)17/h2-8,19-20H,1H3