3-(6-butylundecan-6-yloxy)benzene-1,2-diolate

Systemtic Name: 3-(6-butylundecan-6-yloxy)benzene-1,2-diolate Openeye Name: 3-(1-butyl-1-pentyl-hexoxy)benzene-1,2-diolate CAS Name: 3-(6-butylundecan-6-yloxy)benzene-1,2-diolate IUPAC Name: 3-(6-butylundecan-6-yloxy)benzene-1,2-diolate Traditional Name: 3-(1-amyl-1-butyl-hexoxy)benzene-1,2-diolate Formula: C21H34O3-2 MolecularWeight: 334.49286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC)(CCCCC)OC1=CC=CC(=C1[O-])[O-]

Isomeric SMILES

CCCCCC(CCCC)(CCCCC)OC1=CC=CC(=C1[O-])[O-]

InChI

InChI=1S/C21H36O3/c1-4-7-10-16-21(15-9-6-3,17-11-8-5-2)24-19-14-12-13-18(22)20(19)23/h12-14,22-23H,4-11,15-17H2,1-3H3/p-2