3-(5-tert-butyl-3-methyl-3-oxidanyl-cyclohexa-1,4-dien-1-yl)propanoate

Systemtic Name: 3-(5-tert-butyl-3-methyl-3-oxidanyl-cyclohexa-1,4-dien-1-yl)propanoate Openeye Name: 3-(5-tert-butyl-3-hydroxy-3-methyl-cyclohexa-1,4-dien-1-yl)propanoate CAS Name: 3-(5-tert-butyl-3-hydroxy-3-methyl-1-cyclohexa-1,4-dienyl)propanoate IUPAC Name: 3-(5-tert-butyl-3-hydroxy-3-methylcyclohexa-1,4-dien-1-yl)propanoate Traditional Name: 3-(5-tert-butyl-3-hydroxy-3-methyl-cyclohexa-1,4-dien-1-yl)propionate Formula: C14H21O3- MolecularWeight: 237.31474

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(CC(=C1)C(C)(C)C)CCC(=O)[O-])O

Isomeric SMILES

CC1(C=C(CC(=C1)C(C)(C)C)CCC(=O)[O-])O

InChI

InChI=1S/C14H22O3/c1-13(2,3)11-7-10(5-6-12(15)16)8-14(4,17)9-11/h8-9,17H,5-7H2,1-4H3,(H,15,16)/p-1