8-(azepan-1-ylmethyl)-6-ethyl-4-methyl-7-oxidanyl-chromen-2-one; 2,3-bis(oxidanyl)butanedioic acid

Systemtic Name: 8-(azepan-1-ylmethyl)-6-ethyl-4-methyl-7-oxidanyl-chromen-2-one; 2,3-bis(oxidanyl)butanedioic acid Openeye Name: 8-(azepan-1-ylmethyl)-6-ethyl-7-hydroxy-4-methyl-chromen-2-one; 2,3-dihydroxybutanedioic acid CAS Name: 8-(1-azepanylmethyl)-6-ethyl-7-hydroxy-4-methyl-1-benzopyran-2-one; 2,3-dihydroxybutanedioic acid IUPAC Name: 8-(azepan-1-ylmethyl)-6-ethyl-7-hydroxy-4-methylchromen-2-one; 2,3-dihydroxybutanedioic acid Traditional Name: 8-(azepan-1-ylmethyl)-6-ethyl-7-hydroxy-4-methyl-coumarin; tartaric acid Formula: C23H31NO9 MolecularWeight: 465.49354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)CN3CCCCCC3)O.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)CN3CCCCCC3)O.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C19H25NO3.C4H6O6/c1-3-14-11-15-13(2)10-17(21)23-19(15)16(18(14)22)12-20-8-6-4-5-7-9-20;5-1(3(7)8)2(6)4(9)10/h10-11,22H,3-9,12H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)