5-[5-[[8,10-bis(oxidanylidene)-7,11-dioxaspiro[5.5]undecan-9-ylidene]methyl]furan-2-yl]-2-chloranyl-benzoic acid

Systemtic Name: 5-[5-[[8,10-bis(oxidanylidene)-7,11-dioxaspiro[5.5]undecan-9-ylidene]methyl]furan-2-yl]-2-chloranyl-benzoic acid Openeye Name: 2-chloro-5-[5-[(8,10-dioxo-7,11-dioxaspiro[5.5]undecan-9-ylidene)methyl]-2-furyl]benzoic acid CAS Name: 2-chloro-5-[5-[(8,10-dioxo-7,11-dioxaspiro[5.5]undecan-9-ylidene)methyl]-2-furanyl]benzoic acid IUPAC Name: 2-chloro-5-[5-[(8,10-dioxo-7,11-dioxaspiro[5.5]undecan-9-ylidene)methyl]furan-2-yl]benzoic acid Traditional Name: 2-chloro-5-[5-[(8,10-diketo-7,11-dioxaspiro[5.5]undecan-9-ylidene)methyl]-2-furyl]benzoic acid Formula: C21H17ClO7 MolecularWeight: 416.80848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)C(=O)O2

Isomeric SMILES

C1CCC2(CC1)OC(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)C(=O)O2

InChI

InChI=1S/C21H17ClO7/c22-16-6-4-12(10-14(16)18(23)24)17-7-5-13(27-17)11-15-19(25)28-21(29-20(15)26)8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2,(H,23,24)