3-[2-(2-carboxyethyl)-6-ethanoyl-7-oxidanyl-8-propyl-3,4-dihydrochromen-2-yl]propanoic acid

Systemtic Name: 3-[2-(2-carboxyethyl)-6-ethanoyl-7-oxidanyl-8-propyl-3,4-dihydrochromen-2-yl]propanoic acid Openeye Name: 3-[6-acetyl-2-(2-carboxyethyl)-7-hydroxy-8-propyl-chroman-2-yl]propanoic acid CAS Name: 3-[6-acetyl-2-(2-carboxyethyl)-7-hydroxy-8-propyl-3,4-dihydro-2H-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[6-acetyl-2-(2-carboxyethyl)-7-hydroxy-8-propyl-3,4-dihydrochromen-2-yl]propanoic acid Traditional Name: 3-[6-acetyl-2-(2-carboxyethyl)-7-hydroxy-8-propyl-chroman-2-yl]propionic acid Formula: C20H26O7 MolecularWeight: 378.41624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26O7/c1-3-4-14-18(26)15(12(2)21)11-13-5-8-20(27-19(13)14,9-6-16(22)23)10-7-17(24)25/h11,26H,3-10H2,1-2H3,(H,22,23)(H,24,25)