8-[3-(5-methyl-2-oxidanyl-phenyl)-1-oxidanyl-3-oxidanylidene-propyl]-4H-1,3-benzodioxine-6-carboxylic acid

Systemtic Name: 8-[3-(5-methyl-2-oxidanyl-phenyl)-1-oxidanyl-3-oxidanylidene-propyl]-4H-1,3-benzodioxine-6-carboxylic acid Openeye Name: 8-[1-hydroxy-3-(2-hydroxy-5-methyl-phenyl)-3-oxo-propyl]-4H-1,3-benzodioxine-6-carboxylic acid CAS Name: 8-[1-hydroxy-3-(2-hydroxy-5-methylphenyl)-3-oxopropyl]-4H-1,3-benzodioxin-6-carboxylic acid IUPAC Name: 8-[1-hydroxy-3-(2-hydroxy-5-methylphenyl)-3-oxopropyl]-4H-1,3-benzodioxine-6-carboxylic acid Traditional Name: 8-[1-hydroxy-3-(2-hydroxy-5-methyl-phenyl)-3-keto-propyl]-4H-1,3-benzodioxin-6-carboxylic acid Formula: C19H18O7 MolecularWeight: 358.34202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)CC(C2=CC(=CC3=C2OCOC3)C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)CC(C2=CC(=CC3=C2OCOC3)C(=O)O)O

InChI

InChI=1S/C19H18O7/c1-10-2-3-15(20)13(4-10)16(21)7-17(22)14-6-11(19(23)24)5-12-8-25-9-26-18(12)14/h2-6,17,20,22H,7-9H2,1H3,(H,23,24)