3-(4-methyl-5-oxidanyl-2-oxidanylidene-7-pentyl-chromen-3-yl)propanoic acid

Systemtic Name: 3-(4-methyl-5-oxidanyl-2-oxidanylidene-7-pentyl-chromen-3-yl)propanoic acid Openeye Name: 3-(5-hydroxy-4-methyl-2-oxo-7-pentyl-chromen-3-yl)propanoic acid CAS Name: 3-(5-hydroxy-4-methyl-2-oxo-7-pentyl-1-benzopyran-3-yl)propanoic acid IUPAC Name: 3-(5-hydroxy-4-methyl-2-oxo-7-pentylchromen-3-yl)propanoic acid Traditional Name: 3-(7-amyl-5-hydroxy-2-keto-4-methyl-chromen-3-yl)propionic acid Formula: C18H22O5 MolecularWeight: 318.36428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C(=C(C(=O)O2)CCC(=O)O)C)C(=C1)O

Isomeric SMILES

CCCCCC1=CC2=C(C(=C(C(=O)O2)CCC(=O)O)C)C(=C1)O

InChI

InChI=1S/C18H22O5/c1-3-4-5-6-12-9-14(19)17-11(2)13(7-8-16(20)21)18(22)23-15(17)10-12/h9-10,19H,3-8H2,1-2H3,(H,20,21)