3-(1-heptoxypropyl)benzene-1,2-diolate

Systemtic Name: 3-(1-heptoxypropyl)benzene-1,2-diolate Openeye Name: 3-(1-heptoxypropyl)benzene-1,2-diolate CAS Name: 3-(1-heptoxypropyl)benzene-1,2-diolate IUPAC Name: 3-(1-heptoxypropyl)benzene-1,2-diolate Traditional Name: 3-(1-heptoxypropyl)benzene-1,2-diolate Formula: C16H24O3-2 MolecularWeight: 264.35996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(CC)C1=C(C(=CC=C1)[O-])[O-]

Isomeric SMILES

CCCCCCCOC(CC)C1=C(C(=CC=C1)[O-])[O-]

InChI

InChI=1S/C16H26O3/c1-3-5-6-7-8-12-19-15(4-2)13-10-9-11-14(17)16(13)18/h9-11,15,17-18H,3-8,12H2,1-2H3/p-2