(4-decoxy-8-methoxy-2-oxidanylidene-chromen-3-yl) benzoate

Systemtic Name: (4-decoxy-8-methoxy-2-oxidanylidene-chromen-3-yl) benzoate Openeye Name: (4-decoxy-8-methoxy-2-oxo-chromen-3-yl) benzoate CAS Name: benzoic acid (4-decoxy-8-methoxy-2-oxo-1-benzopyran-3-yl) ester IUPAC Name: (4-decoxy-8-methoxy-2-oxochromen-3-yl) benzoate Traditional Name: benzoic acid (4-decoxy-2-keto-8-methoxy-chromen-3-yl) ester Formula: C27H32O6 MolecularWeight: 452.53938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C(=O)OC2=C1C=CC=C2OC)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCOC1=C(C(=O)OC2=C1C=CC=C2OC)OC(=O)C3=CC=CC=C3

InChI

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