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

Systemtic Name: 3-[2-(2-carboxyethyl)-7-hexoxy-4-oxidanylidene-8-propyl-3H-chromen-2-yl]propanoic acid Openeye Name: 3-[2-(2-carboxyethyl)-7-hexoxy-4-oxo-8-propyl-chroman-2-yl]propanoic acid CAS Name: 3-[2-(2-carboxyethyl)-7-hexoxy-4-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[2-(2-carboxyethyl)-7-hexoxy-4-oxo-8-propyl-3H-chromen-2-yl]propanoic acid Traditional Name: 3-[2-(2-carboxyethyl)-7-hexoxy-4-keto-8-propyl-chroman-2-yl]propionic acid Formula: C24H34O7 MolecularWeight: 434.52256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C2=C(C=C1)C(=O)CC(O2)(CCC(=O)O)CCC(=O)O)CCC

Isomeric SMILES

CCCCCCOC1=C(C2=C(C=C1)C(=O)CC(O2)(CCC(=O)O)CCC(=O)O)CCC

InChI

InChI=1S/C24H34O7/c1-3-5-6-7-15-30-20-10-9-17-19(25)16-24(13-11-21(26)27,14-12-22(28)29)31-23(17)18(20)8-4-2/h9-10H,3-8,11-16H2,1-2H3,(H,26,27)(H,28,29)