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

Systemtic Name: 4-[[2-tert-butyl-2-methyl-4,6-bis(oxidanylidene)-1,3-dioxan-5-ylidene]methyl]benzoic acid Openeye Name: 4-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]benzoic acid CAS Name: 4-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]benzoic acid IUPAC Name: 4-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]benzoic acid Traditional Name: 4-[(2-tert-butyl-4,6-diketo-2-methyl-1,3-dioxan-5-ylidene)methyl]benzoic acid Formula: C17H18O6 MolecularWeight: 318.32122

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=CC2=CC=C(C=C2)C(=O)O)C(=O)O1)C(C)(C)C

Isomeric SMILES

CC1(OC(=O)C(=CC2=CC=C(C=C2)C(=O)O)C(=O)O1)C(C)(C)C

InChI

InChI=1S/C17H18O6/c1-16(2,3)17(4)22-14(20)12(15(21)23-17)9-10-5-7-11(8-6-10)13(18)19/h5-9H,1-4H3,(H,18,19)