3-[6-ethanoyl-2-(3-oxidanidyl-3-oxidanylidene-propyl)-7-oxidanyl-8-propyl-3,4-dihydrochromen-2-yl]propanoate

Systemtic Name: 3-[6-ethanoyl-2-(3-oxidanidyl-3-oxidanylidene-propyl)-7-oxidanyl-8-propyl-3,4-dihydrochromen-2-yl]propanoate Openeye Name: 3-[6-acetyl-7-hydroxy-2-(3-oxido-3-oxo-propyl)-8-propyl-chroman-2-yl]propanoate CAS Name: 3-[6-acetyl-7-hydroxy-2-(3-oxido-3-oxopropyl)-8-propyl-3,4-dihydro-2H-1-benzopyran-2-yl]propanoate IUPAC Name: 3-[6-acetyl-7-hydroxy-2-(3-oxido-3-oxopropyl)-8-propyl-3,4-dihydrochromen-2-yl]propanoate Traditional Name: 3-[6-acetyl-7-hydroxy-2-(3-keto-3-oxido-propyl)-8-propyl-chroman-2-yl]propionate Formula: C20H24O7-2 MolecularWeight: 376.40036

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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)/p-2