9-oxidanyl-4a-[tris(methylsulfanyl)methyl]-3,4-dihydro-2H-xanthen-1-one

Systemtic Name: 9-oxidanyl-4a-[tris(methylsulfanyl)methyl]-3,4-dihydro-2H-xanthen-1-one Openeye Name: 9-hydroxy-4a-[tris(methylsulfanyl)methyl]-3,4-dihydro-2H-xanthen-1-one CAS Name: 9-hydroxy-4a-[tris(methylthio)methyl]-3,4-dihydro-2H-xanthen-1-one IUPAC Name: 9-hydroxy-4a-[tris(methylsulfanyl)methyl]-3,4-dihydro-2H-xanthen-1-one Traditional Name: 9-hydroxy-4a-[tris(methylthio)methyl]-3,4-dihydro-2H-xanthen-1-one Formula: C17H20O3S3 MolecularWeight: 368.5339

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Descriptors Computed from Structure

Canonical SMILES:

CSC(C12CCCC(=O)C1=C(C3=CC=CC=C3O2)O)(SC)SC

Isomeric SMILES

CSC(C12CCCC(=O)C1=C(C3=CC=CC=C3O2)O)(SC)SC

InChI

InChI=1S/C17H20O3S3/c1-21-17(22-2,23-3)16-10-6-8-12(18)14(16)15(19)11-7-4-5-9-13(11)20-16/h4-5,7,9,19H,6,8,10H2,1-3H3