(3,3-dimethyl-2-oxidanylidene-butyl) 1,4-bis(oxidanyl)naphthalene-2-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1,4-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1,4-dihydroxynaphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-2-naphthalenecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 1,4-dihydroxynaphthalene-2-carboxylate Traditional Name: 1,4-dihydroxynaphthalene-2-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C17H18O5 MolecularWeight: 302.32182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=C(C2=CC=CC=C2C(=C1)O)O

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=C(C2=CC=CC=C2C(=C1)O)O

InChI

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