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

Systemtic Name: 3-(2-methyl-4-oxidanylidene-8-propyl-3H-chromen-2-yl)propanoic acid Openeye Name: 3-(2-methyl-4-oxo-8-propyl-chroman-2-yl)propanoic acid CAS Name: 3-(2-methyl-4-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-2-yl)propanoic acid IUPAC Name: 3-(2-methyl-4-oxo-8-propyl-3H-chromen-2-yl)propanoic acid Traditional Name: 3-(4-keto-2-methyl-8-propyl-chroman-2-yl)propionic acid Formula: C16H20O4 MolecularWeight: 276.3276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O4/c1-3-5-11-6-4-7-12-13(17)10-16(2,20-15(11)12)9-8-14(18)19/h4,6-7H,3,5,8-10H2,1-2H3,(H,18,19)