7-azanyl-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one; 2,3-bis(oxidanyl)butanedioic acid

Systemtic Name: 7-azanyl-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one; 2,3-bis(oxidanyl)butanedioic acid Openeye Name: 7-amino-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one; 2,3-dihydroxybutanedioic acid CAS Name: 7-amino-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one; 2,3-dihydroxybutanedioic acid IUPAC Name: 7-amino-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one; 2,3-dihydroxybutanedioic acid Traditional Name: 7-amino-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one; tartaric acid Formula: C44H52N2O16 MolecularWeight: 864.88748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)N.COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)N.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)N.COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)N.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/2C20H23NO5.C4H6O6/c2*1-23-16-8-6-12-13(10-15(16)22)14(21)7-5-11-9-17(24-2)19(25-3)20(26-4)18(11)12;5-1(3(7)8)2(6)4(9)10/h2*6,8-10,14H,5,7,21H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)