1,2,3-trimethoxy-10-methylsulfanyl-5,6-dihydrobenzo[a]heptalene-7,9-dione

Systemtic Name: 1,2,3-trimethoxy-10-methylsulfanyl-5,6-dihydrobenzo[a]heptalene-7,9-dione Openeye Name: 1,2,3-trimethoxy-10-methylsulfanyl-5,6-dihydrobenzo[a]heptalene-7,9-dione CAS Name: 1,2,3-trimethoxy-10-(methylthio)-5,6-dihydrobenzo[a]heptalene-7,9-dione IUPAC Name: 1,2,3-trimethoxy-10-methylsulfanyl-5,6-dihydrobenzo[a]heptalene-7,9-dione Traditional Name: 1,2,3-trimethoxy-10-(methylthio)-5,6-dihydrobenzo[a]heptalene-7,9-quinone Formula: C20H20O5S MolecularWeight: 372.4348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)CCC(=O)C3=CC(=O)C(=CC=C32)SC)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)CCC(=O)C3=CC(=O)C(=CC=C32)SC)OC)OC

InChI

InChI=1S/C20H20O5S/c1-23-16-9-11-5-7-14(21)13-10-15(22)17(26-4)8-6-12(13)18(11)20(25-3)19(16)24-2/h6,8-10H,5,7H2,1-4H3