bicyclo[2.2.0]hexa-1(4),2,5-trien-3-ol; 3-tert-butyl-4,4-dimethyl-pentanoate

Systemtic Name: bicyclo[2.2.0]hexa-1(4),2,5-trien-3-ol; 3-tert-butyl-4,4-dimethyl-pentanoate Openeye Name: bicyclo[2.2.0]hexa-1(4),2,5-trien-3-ol; 3-tert-butyl-4,4-dimethyl-pentanoate CAS Name: 3-bicyclo[2.2.0]hexa-1(4),2,5-trienol; 3-tert-butyl-4,4-dimethylpentanoate IUPAC Name: bicyclo[2.2.0]hexa-1(4),2,5-trien-3-ol; 3-tert-butyl-4,4-dimethylpentanoate Traditional Name: bicyclo[2.2.0]hexa-1(4),2,5-trien-3-ol; 3-tert-butyl-4,4-dimethyl-valerate Formula: C17H25O3- MolecularWeight: 277.3786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC(=O)[O-])C(C)(C)C.C1=CC2=C1C=C2O

Isomeric SMILES

CC(C)(C)C(CC(=O)[O-])C(C)(C)C.C1=CC2=C1C=C2O

InChI

InChI=1S/C11H22O2.C6H4O/c1-10(2,3)8(7-9(12)13)11(4,5)6;7-6-3-4-1-2-5(4)6/h8H,7H2,1-6H3,(H,12,13);1-3,7H/p-1