3-(2-methyl-7-oxidanyl-4-oxidanylidene-8-propyl-3H-chromen-2-yl)propanoic acid

Systemtic Name: 3-(2-methyl-7-oxidanyl-4-oxidanylidene-8-propyl-3H-chromen-2-yl)propanoic acid Openeye Name: 3-(7-hydroxy-2-methyl-4-oxo-8-propyl-chroman-2-yl)propanoic acid CAS Name: 3-(7-hydroxy-2-methyl-4-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-2-yl)propanoic acid IUPAC Name: 3-(7-hydroxy-2-methyl-4-oxo-8-propyl-3H-chromen-2-yl)propanoic acid Traditional Name: 3-(7-hydroxy-4-keto-2-methyl-8-propyl-chroman-2-yl)propionic acid Formula: C16H20O5 MolecularWeight: 292.327

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(CC2=O)(C)CCC(=O)O)O

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(CC2=O)(C)CCC(=O)O)O

InChI

InChI=1S/C16H20O5/c1-3-4-10-12(17)6-5-11-13(18)9-16(2,21-15(10)11)8-7-14(19)20/h5-6,17H,3-4,7-9H2,1-2H3,(H,19,20)