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

Systemtic Name: 1,2,3-trimethoxy-10-methylsulfonyl-5,6-dihydrobenzo[a]heptalene-7,9-dione Openeye Name: 1,2,3-trimethoxy-10-methylsulfonyl-5,6-dihydrobenzo[a]heptalene-7,9-dione CAS Name: 1,2,3-trimethoxy-10-methylsulfonyl-5,6-dihydrobenzo[a]heptalene-7,9-dione IUPAC Name: 1,2,3-trimethoxy-10-methylsulfonyl-5,6-dihydrobenzo[a]heptalene-7,9-dione Traditional Name: 10-mesyl-1,2,3-trimethoxy-5,6-dihydrobenzo[a]heptalene-7,9-quinone Formula: C20H20O7S MolecularWeight: 404.4336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20O7S/c1-25-16-9-11-5-7-14(21)13-10-15(22)17(28(4,23)24)8-6-12(13)18(11)20(27-3)19(16)26-2/h6,8-10H,5,7H2,1-4H3