5-[(6-hexyl-2-oxidanylidene-4-phenyl-chromen-7-yl)oxymethyl]furan-2-carboxylate

Systemtic Name: 5-[(6-hexyl-2-oxidanylidene-4-phenyl-chromen-7-yl)oxymethyl]furan-2-carboxylate Openeye Name: 5-[(6-hexyl-2-oxo-4-phenyl-chromen-7-yl)oxymethyl]furan-2-carboxylate CAS Name: 5-[(6-hexyl-2-oxo-4-phenyl-1-benzopyran-7-yl)oxymethyl]-2-furancarboxylate IUPAC Name: 5-[(6-hexyl-2-oxo-4-phenylchromen-7-yl)oxymethyl]furan-2-carboxylate Traditional Name: 5-[(6-hexyl-2-keto-4-phenyl-chromen-7-yl)oxymethyl]-2-furoate Formula: C27H25O6- MolecularWeight: 445.4838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OCC4=CC=C(O4)C(=O)[O-]

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OCC4=CC=C(O4)C(=O)[O-]

InChI

InChI=1S/C27H26O6/c1-2-3-4-6-11-19-14-22-21(18-9-7-5-8-10-18)15-26(28)33-25(22)16-24(19)31-17-20-12-13-23(32-20)27(29)30/h5,7-10,12-16H,2-4,6,11,17H2,1H3,(H,29,30)/p-1