3-[5-[[2-butyl-2-methyl-4,6-bis(oxidanylidene)-1,3-dioxan-5-ylidene]methyl]furan-2-yl]-4-methyl-benzoate

Systemtic Name: 3-[5-[[2-butyl-2-methyl-4,6-bis(oxidanylidene)-1,3-dioxan-5-ylidene]methyl]furan-2-yl]-4-methyl-benzoate Openeye Name: 3-[5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-furyl]-4-methyl-benzoate CAS Name: 3-[5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-furanyl]-4-methylbenzoate IUPAC Name: 3-[5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl]-4-methylbenzoate Traditional Name: 3-[5-[(2-butyl-4,6-diketo-2-methyl-1,3-dioxan-5-ylidene)methyl]-2-furyl]-4-methyl-benzoate Formula: C22H21O7- MolecularWeight: 397.39794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(OC(=O)C(=CC2=CC=C(O2)C3=C(C=CC(=C3)C(=O)[O-])C)C(=O)O1)C

Isomeric SMILES

CCCCC1(OC(=O)C(=CC2=CC=C(O2)C3=C(C=CC(=C3)C(=O)[O-])C)C(=O)O1)C

InChI

InChI=1S/C22H22O7/c1-4-5-10-22(3)28-20(25)17(21(26)29-22)12-15-8-9-18(27-15)16-11-14(19(23)24)7-6-13(16)2/h6-9,11-12H,4-5,10H2,1-3H3,(H,23,24)/p-1