(5-decoxy-4-methoxy-2-oxidanylidene-chromen-3-yl) benzoate

Systemtic Name: (5-decoxy-4-methoxy-2-oxidanylidene-chromen-3-yl) benzoate Openeye Name: (5-decoxy-4-methoxy-2-oxo-chromen-3-yl) benzoate CAS Name: benzoic acid (5-decoxy-4-methoxy-2-oxo-1-benzopyran-3-yl) ester IUPAC Name: (5-decoxy-4-methoxy-2-oxochromen-3-yl) benzoate Traditional Name: benzoic acid (5-decoxy-2-keto-4-methoxy-chromen-3-yl) ester Formula: C27H32O6 MolecularWeight: 452.53938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=CC2=C1C(=C(C(=O)O2)OC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CCCCCCCCCCOC1=CC=CC2=C1C(=C(C(=O)O2)OC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C27H32O6/c1-3-4-5-6-7-8-9-13-19-31-21-17-14-18-22-23(21)24(30-2)25(27(29)32-22)33-26(28)20-15-11-10-12-16-20/h10-12,14-18H,3-9,13,19H2,1-2H3