3-pentadecylbenzene-1,2-diol ethanoate

Systemtic Name: 3-pentadecylbenzene-1,2-diol ethanoate Openeye Name: 3-pentadecylbenzene-1,2-diol acetate CAS Name: 3-pentadecylbenzene-1,2-diol acetate IUPAC Name: 3-pentadecylbenzene-1,2-diol acetate Traditional Name: 3-pentadecylpyrocatechol acetate Formula: C23H39O4- MolecularWeight: 379.55336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)O.CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)O.CC(=O)[O-]

InChI

InChI=1S/C21H36O2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23;1-2(3)4/h15,17-18,22-23H,2-14,16H2,1H3;1H3,(H,3,4)/p-1