3-[2-(2-carboxyethyl)-4-oxidanylidene-8-propyl-3H-chromen-2-yl]propanoic acid

Systemtic Name: 3-[2-(2-carboxyethyl)-4-oxidanylidene-8-propyl-3H-chromen-2-yl]propanoic acid Openeye Name: 3-[2-(2-carboxyethyl)-4-oxo-8-propyl-chroman-2-yl]propanoic acid CAS Name: 3-[2-(2-carboxyethyl)-4-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[2-(2-carboxyethyl)-4-oxo-8-propyl-3H-chromen-2-yl]propanoic acid Traditional Name: 3-[2-(2-carboxyethyl)-4-keto-8-propyl-chroman-2-yl]propionic acid Formula: C18H22O6 MolecularWeight: 334.36368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O6/c1-2-4-12-5-3-6-13-14(19)11-18(24-17(12)13,9-7-15(20)21)10-8-16(22)23/h3,5-6H,2,4,7-11H2,1H3,(H,20,21)(H,22,23)