5-(4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-3-yl)-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-(4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-3-yl)-1-benzofuran-2-carboxylic acid Openeye Name: 5-(4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromen-3-yl)benzofuran-2-carboxylic acid CAS Name: 5-(4-hydroxy-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-3-yl)-2-benzofurancarboxylic acid IUPAC Name: 5-(4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromen-3-yl)-1-benzofuran-2-carboxylic acid Traditional Name: 5-(4-hydroxy-7-keto-5,6,8,8a-tetrahydrochromen-3-yl)coumarilic acid Formula: C18H14O6 MolecularWeight: 326.30016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=COC2CC1=O)C3=CC4=C(C=C3)OC(=C4)C(=O)O)O

Isomeric SMILES

C1CC2=C(C(=COC2CC1=O)C3=CC4=C(C=C3)OC(=C4)C(=O)O)O

InChI

InChI=1S/C18H14O6/c19-11-2-3-12-15(7-11)23-8-13(17(12)20)9-1-4-14-10(5-9)6-16(24-14)18(21)22/h1,4-6,8,15,20H,2-3,7H2,(H,21,22)