2-[3,6-bis(oxidanyl)-9H-xanthen-9-yl]-N-(1,2,3,10-tetramethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide

Systemtic Name: 2-[3,6-bis(oxidanyl)-9H-xanthen-9-yl]-N-(1,2,3,10-tetramethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide Openeye Name: 2-(3,6-dihydroxy-9H-xanthen-9-yl)-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide CAS Name: 2-(3,6-dihydroxy-9H-xanthen-9-yl)-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide IUPAC Name: 2-(3,6-dihydroxy-9H-xanthen-9-yl)-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide Traditional Name: 2-(3,6-dihydroxy-9H-xanthen-9-yl)-N-(9-keto-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide Formula: C40H35NO9 MolecularWeight: 673.7072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C4=CC=CC=C4C5C6=C(C=C(C=C6)O)OC7=C5C=CC(=C7)O

Isomeric SMILES

COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C4=CC=CC=C4C5C6=C(C=C(C=C6)O)OC7=C5C=CC(=C7)O

InChI

InChI=1S/C40H35NO9/c1-46-32-16-14-25-29(20-31(32)44)30(15-9-21-17-35(47-2)38(48-3)39(49-4)36(21)25)41-40(45)26-8-6-5-7-24(26)37-27-12-10-22(42)18-33(27)50-34-19-23(43)11-13-28(34)37/h5-8,10-14,16-20,30,37,42-43H,9,15H2,1-4H3,(H,41,45)