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

Systemtic Name: 3-[2-(2-carboxyethyl)-7-decoxy-4-oxidanylidene-8-propyl-3H-chromen-2-yl]propanoic acid Openeye Name: 3-[2-(2-carboxyethyl)-7-decoxy-4-oxo-8-propyl-chroman-2-yl]propanoic acid CAS Name: 3-[2-(2-carboxyethyl)-7-decoxy-4-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[2-(2-carboxyethyl)-7-decoxy-4-oxo-8-propyl-3H-chromen-2-yl]propanoic acid Traditional Name: 3-[2-(2-carboxyethyl)-7-decoxy-4-keto-8-propyl-chroman-2-yl]propionic acid Formula: C28H42O7 MolecularWeight: 490.62888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C2=C(C=C1)C(=O)CC(O2)(CCC(=O)O)CCC(=O)O)CCC

Isomeric SMILES

CCCCCCCCCCOC1=C(C2=C(C=C1)C(=O)CC(O2)(CCC(=O)O)CCC(=O)O)CCC

InChI

InChI=1S/C28H42O7/c1-3-5-6-7-8-9-10-11-19-34-24-14-13-21-23(29)20-28(17-15-25(30)31,18-16-26(32)33)35-27(21)22(24)12-4-2/h13-14H,3-12,15-20H2,1-2H3,(H,30,31)(H,32,33)