2-(1,2,3-trimethoxy-10-oxidanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)isoindole-1,3-dione

Systemtic Name: 2-(1,2,3-trimethoxy-10-oxidanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)isoindole-1,3-dione Openeye Name: 2-(10-hydroxy-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)isoindoline-1,3-dione CAS Name: 2-(10-hydroxy-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)isoindole-1,3-dione IUPAC Name: 2-(10-hydroxy-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)isoindole-1,3-dione Traditional Name: 2-(10-hydroxy-9-keto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl)isoindoline-1,3-quinone Formula: C27H23NO7 MolecularWeight: 473.47402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)O)N4C(=O)C5=CC=CC=C5C4=O)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)O)N4C(=O)C5=CC=CC=C5C4=O)OC)OC

InChI

InChI=1S/C27H23NO7/c1-33-22-12-14-8-10-19(28-26(31)16-6-4-5-7-17(16)27(28)32)18-13-21(30)20(29)11-9-15(18)23(14)25(35-3)24(22)34-2/h4-7,9,11-13,19H,8,10H2,1-3H3,(H,29,30)