2,2-dimethyl-3-oxidanyl-4-(phenylmethylsulfanyl)-3,4-dihydrobenzo[g]chromene-5,10-dione

Systemtic Name: 2,2-dimethyl-3-oxidanyl-4-(phenylmethylsulfanyl)-3,4-dihydrobenzo[g]chromene-5,10-dione Openeye Name: 4-benzylsulfanyl-3-hydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione CAS Name: 3-hydroxy-2,2-dimethyl-4-(phenylmethylthio)-3,4-dihydrobenzo[g][1]benzopyran-5,10-dione IUPAC Name: 4-benzylsulfanyl-3-hydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione Traditional Name: 4-(benzylthio)-3-hydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-quinone Formula: C22H20O4S MolecularWeight: 380.4568

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C(=O)C3=CC=CC=C3C2=O)SCC4=CC=CC=C4)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C(=O)C3=CC=CC=C3C2=O)SCC4=CC=CC=C4)O)C

InChI

InChI=1S/C22H20O4S/c1-22(2)21(25)20(27-12-13-8-4-3-5-9-13)16-17(23)14-10-6-7-11-15(14)18(24)19(16)26-22/h3-11,20-21,25H,12H2,1-2H3