methyl 4-[3,5-bis(oxidanylidene)-4-(1-oxidanylpropylidene)cyclohexyl]benzoate

Systemtic Name: methyl 4-[3,5-bis(oxidanylidene)-4-(1-oxidanylpropylidene)cyclohexyl]benzoate Openeye Name: methyl 4-[4-(1-hydroxypropylidene)-3,5-dioxo-cyclohexyl]benzoate CAS Name: 4-[4-(1-hydroxypropylidene)-3,5-dioxocyclohexyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(1-hydroxypropylidene)-3,5-dioxocyclohexyl]benzoate Traditional Name: 4-[4-(1-hydroxypropylidene)-3,5-diketo-cyclohexyl]benzoic acid methyl ester Formula: C17H18O5 MolecularWeight: 302.32182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C2=CC=C(C=C2)C(=O)OC)O

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C2=CC=C(C=C2)C(=O)OC)O

InChI

InChI=1S/C17H18O5/c1-3-13(18)16-14(19)8-12(9-15(16)20)10-4-6-11(7-5-10)17(21)22-2/h4-7,12,18H,3,8-9H2,1-2H3