2,4-bis(oxidanylidene)-4-[7-(phenylmethyl)-1,3-benzodioxol-5-yl]butanoic acid

Systemtic Name: 2,4-bis(oxidanylidene)-4-[7-(phenylmethyl)-1,3-benzodioxol-5-yl]butanoic acid Openeye Name: 4-(7-benzyl-1,3-benzodioxol-5-yl)-2,4-dioxo-butanoic acid CAS Name: 2,4-dioxo-4-[7-(phenylmethyl)-1,3-benzodioxol-5-yl]butanoic acid IUPAC Name: 4-(7-benzyl-1,3-benzodioxol-5-yl)-2,4-dioxobutanoic acid Traditional Name: 4-(7-benzyl-1,3-benzodioxol-5-yl)-2,4-diketo-butyric acid Formula: C18H14O6 MolecularWeight: 326.30016

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC(=CC(=C2O1)CC3=CC=CC=C3)C(=O)CC(=O)C(=O)O

Isomeric SMILES

C1OC2=CC(=CC(=C2O1)CC3=CC=CC=C3)C(=O)CC(=O)C(=O)O

InChI

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