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

Systemtic Name: 3-[2-(2-carboxyethyl)-7-oxidanyl-4-oxidanylidene-8-propyl-3H-chromen-2-yl]propanoic acid Openeye Name: 3-[2-(2-carboxyethyl)-7-hydroxy-4-oxo-8-propyl-chroman-2-yl]propanoic acid CAS Name: 3-[2-(2-carboxyethyl)-7-hydroxy-4-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[2-(2-carboxyethyl)-7-hydroxy-4-oxo-8-propyl-3H-chromen-2-yl]propanoic acid Traditional Name: 3-[2-(2-carboxyethyl)-7-hydroxy-4-keto-8-propyl-chroman-2-yl]propionic acid Formula: C18H22O7 MolecularWeight: 350.36308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O7/c1-2-3-11-13(19)5-4-12-14(20)10-18(25-17(11)12,8-6-15(21)22)9-7-16(23)24/h4-5,19H,2-3,6-10H2,1H3,(H,21,22)(H,23,24)