benzene-1,2,3-triol; octadecanoate

Systemtic Name: benzene-1,2,3-triol; octadecanoate Openeye Name: benzene-1,2,3-triol; octadecanoate CAS Name: benzene-1,2,3-triol; octadecanoate IUPAC Name: benzene-1,2,3-triol; octadecanoate Traditional Name: pyrogallol; stearate Formula: C24H41O5- MolecularWeight: 409.57934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36O2.C6H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;7-4-2-1-3-5(8)6(4)9/h2-17H2,1H3,(H,19,20);1-3,7-9H/p-1