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

Systemtic Name: 3-[5-[[2-butyl-2-methyl-4,6-bis(oxidanylidene)-1,3-dioxan-5-ylidene]methyl]furan-2-yl]-4-chloranyl-benzoic acid Openeye Name: 3-[5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-furyl]-4-chloro-benzoic acid CAS Name: 3-[5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-furanyl]-4-chlorobenzoic acid IUPAC Name: 3-[5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl]-4-chlorobenzoic acid Traditional Name: 3-[5-[(2-butyl-4,6-diketo-2-methyl-1,3-dioxan-5-ylidene)methyl]-2-furyl]-4-chloro-benzoic acid Formula: C21H19ClO7 MolecularWeight: 418.82436

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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)Cl)C(=O)O1)C

Isomeric SMILES

CCCCC1(OC(=O)C(=CC2=CC=C(O2)C3=C(C=CC(=C3)C(=O)O)Cl)C(=O)O1)C

InChI

InChI=1S/C21H19ClO7/c1-3-4-9-21(2)28-19(25)15(20(26)29-21)11-13-6-8-17(27-13)14-10-12(18(23)24)5-7-16(14)22/h5-8,10-11H,3-4,9H2,1-2H3,(H,23,24)