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3-heptadecylbenzene-1,2-diol diethanoate

3-heptadecylbenzene-1,2-diol diethanoate

Systemtic Name:3-heptadecylbenzene-1,2-diol diethanoate
Openeye Name:3-heptadecylbenzene-1,2-diol diacetate
CAS Name:3-heptadecylbenzene-1,2-diol diacetate
IUPAC Name:3-heptadecylbenzene-1,2-diol diacetate
Traditional Name:3-heptadecylpyrocatechol diacetate
Formula: C27H46O6-2
MolecularWeight: 466.65054
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C23H40O2.2C2H4O2/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;2*1-2(3)4/h17,19-20,24-25H,2-16,18H2,1H3;2*1H3,(H,3,4)/p-2


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