3,5-bis(2,2-dimethylpentyl)-4-oxidanyl-benzoate

Systemtic Name: 3,5-bis(2,2-dimethylpentyl)-4-oxidanyl-benzoate Openeye Name: 3,5-bis(2,2-dimethylpentyl)-4-hydroxy-benzoate CAS Name: 3,5-bis(2,2-dimethylpentyl)-4-hydroxybenzoate IUPAC Name: 3,5-bis(2,2-dimethylpentyl)-4-hydroxybenzoate Traditional Name: 3,5-bis(2,2-dimethylpentyl)-4-hydroxy-benzoate Formula: C21H33O3- MolecularWeight: 333.48492

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)CC1=CC(=CC(=C1O)CC(C)(C)CCC)C(=O)[O-]

Isomeric SMILES

CCCC(C)(C)CC1=CC(=CC(=C1O)CC(C)(C)CCC)C(=O)[O-]

InChI

InChI=1S/C21H34O3/c1-7-9-20(3,4)13-16-11-15(19(23)24)12-17(18(16)22)14-21(5,6)10-8-2/h11-12,22H,7-10,13-14H2,1-6H3,(H,23,24)/p-1