4-[4-(1,3-benzodioxol-5-yl)-2-oxidanyl-5-oxidanylidene-3-(phenylmethyl)furan-2-yl]benzoic acid

Systemtic Name: 4-[4-(1,3-benzodioxol-5-yl)-2-oxidanyl-5-oxidanylidene-3-(phenylmethyl)furan-2-yl]benzoic acid Openeye Name: 4-[4-(1,3-benzodioxol-5-yl)-3-benzyl-2-hydroxy-5-oxo-2-furyl]benzoic acid CAS Name: 4-[4-(1,3-benzodioxol-5-yl)-2-hydroxy-5-oxo-3-(phenylmethyl)-2-furanyl]benzoic acid IUPAC Name: 4-[4-(1,3-benzodioxol-5-yl)-3-benzyl-2-hydroxy-5-oxofuran-2-yl]benzoic acid Traditional Name: 4-[4-(1,3-benzodioxol-5-yl)-3-benzyl-2-hydroxy-5-keto-2-furyl]benzoic acid Formula: C25H18O7 MolecularWeight: 430.40622

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C(OC3=O)(C4=CC=C(C=C4)C(=O)O)O)CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C(OC3=O)(C4=CC=C(C=C4)C(=O)O)O)CC5=CC=CC=C5

InChI

InChI=1S/C25H18O7/c26-23(27)16-6-9-18(10-7-16)25(29)19(12-15-4-2-1-3-5-15)22(24(28)32-25)17-8-11-20-21(13-17)31-14-30-20/h1-11,13,29H,12,14H2,(H,26,27)