[2-methoxy-5-(3,6,7-trimethoxy-5-oxidanyl-4-oxidanylidene-chromen-2-yl)phenyl] benzoate

Systemtic Name: [2-methoxy-5-(3,6,7-trimethoxy-5-oxidanyl-4-oxidanylidene-chromen-2-yl)phenyl] benzoate Openeye Name: [5-(5-hydroxy-3,6,7-trimethoxy-4-oxo-chromen-2-yl)-2-methoxy-phenyl] benzoate CAS Name: benzoic acid [5-(5-hydroxy-3,6,7-trimethoxy-4-oxo-1-benzopyran-2-yl)-2-methoxyphenyl] ester IUPAC Name: [5-(5-hydroxy-3,6,7-trimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl] benzoate Traditional Name: benzoic acid [5-(5-hydroxy-4-keto-3,6,7-trimethoxy-chromen-2-yl)-2-methoxy-phenyl] ester Formula: C26H22O9 MolecularWeight: 478.44748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)OC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H22O9/c1-30-16-11-10-15(12-17(16)35-26(29)14-8-6-5-7-9-14)23-25(33-4)22(28)20-18(34-23)13-19(31-2)24(32-3)21(20)27/h5-13,27H,1-4H3