iron(3+); naphthalene-1,2-diol; octadecanoate

Systemtic Name: iron(3+); naphthalene-1,2-diol; octadecanoate Openeye Name: ferric; naphthalene-1,2-diol; octadecanoate CAS Name: iron(3+); naphthalene-1,2-diol; octadecanoate IUPAC Name: iron(3+); naphthalene-1,2-diol; octadecanoate Traditional Name: ferric; naphthalene-1,2-diol; stearate Formula: C64H113FeO8 MolecularWeight: 1066.42222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].C1=CC=C2C(=C1)C=CC(=C2O)O.[Fe+3]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].C1=CC=C2C(=C1)C=CC(=C2O)O.[Fe+3]

InChI

InChI=1S/3C18H36O2.C10H8O2.Fe/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;11-9-6-5-7-3-1-2-4-8(7)10(9)12;/h3*2-17H2,1H3,(H,19,20);1-6,11-12H;/q;;;;+3/p-3