1-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanyl-decan-3-one; pyridine-3-carboxylic acid

Systemtic Name: 1-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanyl-decan-3-one; pyridine-3-carboxylic acid Openeye Name: 5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)decan-3-one; nicotinic acid CAS Name: 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone; 3-pyridinecarboxylic acid IUPAC Name: 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one; pyridine-3-carboxylic acid Traditional Name: 5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)decan-3-one; nicotinic acid Formula: C23H31NO6 MolecularWeight: 417.49534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O.C1=CC(=CN=C1)C(=O)O

Isomeric SMILES

CCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O.C1=CC(=CN=C1)C(=O)O

InChI

InChI=1S/C17H26O4.C6H5NO2/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2;8-6(9)5-2-1-3-7-4-5/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3;1-4H,(H,8,9)