3-heptadecylbenzene-1,2-diol ethanoate

Systemtic Name: 3-heptadecylbenzene-1,2-diol ethanoate Openeye Name: 3-heptadecylbenzene-1,2-diol acetate CAS Name: 3-heptadecylbenzene-1,2-diol acetate IUPAC Name: 3-heptadecylbenzene-1,2-diol acetate Traditional Name: 3-heptadecylpyrocatechol acetate Formula: C25H43O4- MolecularWeight: 407.60652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)O.CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)O.CC(=O)[O-]

InChI

InChI=1S/C23H40O2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(24)23(21)25;1-2(3)4/h17,19-20,24-25H,2-16,18H2,1H3;1H3,(H,3,4)/p-1